The detailed crystal and electronic structures of the cotunnite-type ZrO2
The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (G...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Zhang, Yan [verfasserIn] |
|---|
| Format: |
E-Artikel |
|---|---|
| Sprache: |
Englisch |
| Erschienen: |
2016transfer abstract |
|---|
| Schlagwörter: |
|---|
| Umfang: |
5 |
|---|
| Übergeordnetes Werk: |
Enthalten in: Optimism in prolonged grief and depression following loss: A three-wave longitudinal study - Boelen, Paul A. ELSEVIER, 2015transfer abstract, an international journal, New York, NY [u.a.] |
|---|---|
| Übergeordnetes Werk: |
volume:239 ; year:2016 ; pages:27-31 ; extent:5 |
| Links: |
|---|
| DOI / URN: |
10.1016/j.ssc.2016.04.014 |
|---|
| Katalog-ID: |
ELV039939278 |
|---|
| LEADER | 01000caa a22002652 4500 | ||
|---|---|---|---|
| 001 | ELV039939278 | ||
| 003 | DE-627 | ||
| 005 | 20230625230340.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 180603s2016 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1016/j.ssc.2016.04.014 |2 doi | |
| 028 | 5 | 2 | |a GBVA2016001000018.pica |
| 035 | |a (DE-627)ELV039939278 | ||
| 035 | |a (ELSEVIER)S0038-1098(16)30045-X | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 082 | 0 | |a 540 |a 530 | |
| 082 | 0 | 4 | |a 540 |q DE-600 |
| 082 | 0 | 4 | |a 530 |q DE-600 |
| 100 | 1 | |a Zhang, Yan |e verfasserin |4 aut | |
| 245 | 1 | 4 | |a The detailed crystal and electronic structures of the cotunnite-type ZrO2 |
| 264 | 1 | |c 2016transfer abstract | |
| 300 | |a 5 | ||
| 336 | |a nicht spezifiziert |b zzz |2 rdacontent | ||
| 337 | |a nicht spezifiziert |b z |2 rdamedia | ||
| 338 | |a nicht spezifiziert |b zu |2 rdacarrier | ||
| 520 | |a The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states. | ||
| 520 | |a The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states. | ||
| 650 | 7 | |a D: Crystal-field splitting |2 Elsevier | |
| 650 | 7 | |a C: Electronic structures |2 Elsevier | |
| 650 | 7 | |a E: First-principles |2 Elsevier | |
| 650 | 7 | |a C: Crystal structures |2 Elsevier | |
| 650 | 7 | |a A: Oxides |2 Elsevier | |
| 700 | 1 | |a Duan, Li |4 oth | |
| 700 | 1 | |a Ji, Vincent |4 oth | |
| 773 | 0 | 8 | |i Enthalten in |n Elsevier Science |a Boelen, Paul A. ELSEVIER |t Optimism in prolonged grief and depression following loss: A three-wave longitudinal study |d 2015transfer abstract |d an international journal |g New York, NY [u.a.] |w (DE-627)ELV018237444 |
| 773 | 1 | 8 | |g volume:239 |g year:2016 |g pages:27-31 |g extent:5 |
| 856 | 4 | 0 | |u https://doi.org/10.1016/j.ssc.2016.04.014 |3 Volltext |
| 912 | |a GBV_USEFLAG_U | ||
| 912 | |a GBV_ELV | ||
| 912 | |a SYSFLAG_U | ||
| 912 | |a GBV_ILN_40 | ||
| 951 | |a AR | ||
| 952 | |d 239 |j 2016 |h 27-31 |g 5 | ||
| 953 | |2 045F |a 540 | ||
| author_variant |
y z yz |
|---|---|
| matchkey_str |
zhangyanduanlijivincent:2016----:hdtiecytlneetoisrcueot |
| hierarchy_sort_str |
2016transfer abstract |
| publishDate |
2016 |
| allfields |
10.1016/j.ssc.2016.04.014 doi GBVA2016001000018.pica (DE-627)ELV039939278 (ELSEVIER)S0038-1098(16)30045-X DE-627 ger DE-627 rakwb eng 540 530 540 DE-600 530 DE-600 Zhang, Yan verfasserin aut The detailed crystal and electronic structures of the cotunnite-type ZrO2 2016transfer abstract 5 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states. The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states. D: Crystal-field splitting Elsevier C: Electronic structures Elsevier E: First-principles Elsevier C: Crystal structures Elsevier A: Oxides Elsevier Duan, Li oth Ji, Vincent oth Enthalten in Elsevier Science Boelen, Paul A. ELSEVIER Optimism in prolonged grief and depression following loss: A three-wave longitudinal study 2015transfer abstract an international journal New York, NY [u.a.] (DE-627)ELV018237444 volume:239 year:2016 pages:27-31 extent:5 https://doi.org/10.1016/j.ssc.2016.04.014 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_40 AR 239 2016 27-31 5 045F 540 |
| spelling |
10.1016/j.ssc.2016.04.014 doi GBVA2016001000018.pica (DE-627)ELV039939278 (ELSEVIER)S0038-1098(16)30045-X DE-627 ger DE-627 rakwb eng 540 530 540 DE-600 530 DE-600 Zhang, Yan verfasserin aut The detailed crystal and electronic structures of the cotunnite-type ZrO2 2016transfer abstract 5 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states. The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states. D: Crystal-field splitting Elsevier C: Electronic structures Elsevier E: First-principles Elsevier C: Crystal structures Elsevier A: Oxides Elsevier Duan, Li oth Ji, Vincent oth Enthalten in Elsevier Science Boelen, Paul A. ELSEVIER Optimism in prolonged grief and depression following loss: A three-wave longitudinal study 2015transfer abstract an international journal New York, NY [u.a.] (DE-627)ELV018237444 volume:239 year:2016 pages:27-31 extent:5 https://doi.org/10.1016/j.ssc.2016.04.014 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_40 AR 239 2016 27-31 5 045F 540 |
| allfields_unstemmed |
10.1016/j.ssc.2016.04.014 doi GBVA2016001000018.pica (DE-627)ELV039939278 (ELSEVIER)S0038-1098(16)30045-X DE-627 ger DE-627 rakwb eng 540 530 540 DE-600 530 DE-600 Zhang, Yan verfasserin aut The detailed crystal and electronic structures of the cotunnite-type ZrO2 2016transfer abstract 5 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states. The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states. D: Crystal-field splitting Elsevier C: Electronic structures Elsevier E: First-principles Elsevier C: Crystal structures Elsevier A: Oxides Elsevier Duan, Li oth Ji, Vincent oth Enthalten in Elsevier Science Boelen, Paul A. ELSEVIER Optimism in prolonged grief and depression following loss: A three-wave longitudinal study 2015transfer abstract an international journal New York, NY [u.a.] (DE-627)ELV018237444 volume:239 year:2016 pages:27-31 extent:5 https://doi.org/10.1016/j.ssc.2016.04.014 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_40 AR 239 2016 27-31 5 045F 540 |
| allfieldsGer |
10.1016/j.ssc.2016.04.014 doi GBVA2016001000018.pica (DE-627)ELV039939278 (ELSEVIER)S0038-1098(16)30045-X DE-627 ger DE-627 rakwb eng 540 530 540 DE-600 530 DE-600 Zhang, Yan verfasserin aut The detailed crystal and electronic structures of the cotunnite-type ZrO2 2016transfer abstract 5 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states. The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states. D: Crystal-field splitting Elsevier C: Electronic structures Elsevier E: First-principles Elsevier C: Crystal structures Elsevier A: Oxides Elsevier Duan, Li oth Ji, Vincent oth Enthalten in Elsevier Science Boelen, Paul A. ELSEVIER Optimism in prolonged grief and depression following loss: A three-wave longitudinal study 2015transfer abstract an international journal New York, NY [u.a.] (DE-627)ELV018237444 volume:239 year:2016 pages:27-31 extent:5 https://doi.org/10.1016/j.ssc.2016.04.014 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_40 AR 239 2016 27-31 5 045F 540 |
| allfieldsSound |
10.1016/j.ssc.2016.04.014 doi GBVA2016001000018.pica (DE-627)ELV039939278 (ELSEVIER)S0038-1098(16)30045-X DE-627 ger DE-627 rakwb eng 540 530 540 DE-600 530 DE-600 Zhang, Yan verfasserin aut The detailed crystal and electronic structures of the cotunnite-type ZrO2 2016transfer abstract 5 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states. The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states. D: Crystal-field splitting Elsevier C: Electronic structures Elsevier E: First-principles Elsevier C: Crystal structures Elsevier A: Oxides Elsevier Duan, Li oth Ji, Vincent oth Enthalten in Elsevier Science Boelen, Paul A. ELSEVIER Optimism in prolonged grief and depression following loss: A three-wave longitudinal study 2015transfer abstract an international journal New York, NY [u.a.] (DE-627)ELV018237444 volume:239 year:2016 pages:27-31 extent:5 https://doi.org/10.1016/j.ssc.2016.04.014 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_40 AR 239 2016 27-31 5 045F 540 |
| language |
English |
| source |
Enthalten in Optimism in prolonged grief and depression following loss: A three-wave longitudinal study New York, NY [u.a.] volume:239 year:2016 pages:27-31 extent:5 |
| sourceStr |
Enthalten in Optimism in prolonged grief and depression following loss: A three-wave longitudinal study New York, NY [u.a.] volume:239 year:2016 pages:27-31 extent:5 |
| format_phy_str_mv |
Article |
| institution |
findex.gbv.de |
| topic_facet |
D: Crystal-field splitting C: Electronic structures E: First-principles C: Crystal structures A: Oxides |
| dewey-raw |
540 |
| isfreeaccess_bool |
false |
| container_title |
Optimism in prolonged grief and depression following loss: A three-wave longitudinal study |
| authorswithroles_txt_mv |
Zhang, Yan @@aut@@ Duan, Li @@oth@@ Ji, Vincent @@oth@@ |
| publishDateDaySort_date |
2016-01-01T00:00:00Z |
| hierarchy_top_id |
ELV018237444 |
| dewey-sort |
3540 |
| id |
ELV039939278 |
| language_de |
englisch |
| fullrecord |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">ELV039939278</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230625230340.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">180603s2016 xx |||||o 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1016/j.ssc.2016.04.014</subfield><subfield code="2">doi</subfield></datafield><datafield tag="028" ind1="5" ind2="2"><subfield code="a">GBVA2016001000018.pica</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)ELV039939278</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(ELSEVIER)S0038-1098(16)30045-X</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2=" "><subfield code="a">540</subfield><subfield code="a">530</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">540</subfield><subfield code="q">DE-600</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">530</subfield><subfield code="q">DE-600</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Zhang, Yan</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="4"><subfield code="a">The detailed crystal and electronic structures of the cotunnite-type ZrO2</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2016transfer abstract</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">5</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zzz</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">z</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zu</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states.</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states.</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">D: Crystal-field splitting</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">C: Electronic structures</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">E: First-principles</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">C: Crystal structures</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">A: Oxides</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Duan, Li</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Ji, Vincent</subfield><subfield code="4">oth</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="n">Elsevier Science</subfield><subfield code="a">Boelen, Paul A. ELSEVIER</subfield><subfield code="t">Optimism in prolonged grief and depression following loss: A three-wave longitudinal study</subfield><subfield code="d">2015transfer abstract</subfield><subfield code="d">an international journal</subfield><subfield code="g">New York, NY [u.a.]</subfield><subfield code="w">(DE-627)ELV018237444</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:239</subfield><subfield code="g">year:2016</subfield><subfield code="g">pages:27-31</subfield><subfield code="g">extent:5</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doi.org/10.1016/j.ssc.2016.04.014</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ELV</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_40</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">239</subfield><subfield code="j">2016</subfield><subfield code="h">27-31</subfield><subfield code="g">5</subfield></datafield><datafield tag="953" ind1=" " ind2=" "><subfield code="2">045F</subfield><subfield code="a">540</subfield></datafield></record></collection>
|
| author |
Zhang, Yan |
| spellingShingle |
Zhang, Yan ddc 540 ddc 530 Elsevier D: Crystal-field splitting Elsevier C: Electronic structures Elsevier E: First-principles Elsevier C: Crystal structures Elsevier A: Oxides The detailed crystal and electronic structures of the cotunnite-type ZrO2 |
| authorStr |
Zhang, Yan |
| ppnlink_with_tag_str_mv |
@@773@@(DE-627)ELV018237444 |
| format |
electronic Article |
| dewey-ones |
540 - Chemistry & allied sciences 530 - Physics |
| delete_txt_mv |
keep |
| author_role |
aut |
| collection |
elsevier |
| remote_str |
true |
| illustrated |
Not Illustrated |
| topic_title |
540 530 540 DE-600 530 DE-600 The detailed crystal and electronic structures of the cotunnite-type ZrO2 D: Crystal-field splitting Elsevier C: Electronic structures Elsevier E: First-principles Elsevier C: Crystal structures Elsevier A: Oxides Elsevier |
| topic |
ddc 540 ddc 530 Elsevier D: Crystal-field splitting Elsevier C: Electronic structures Elsevier E: First-principles Elsevier C: Crystal structures Elsevier A: Oxides |
| topic_unstemmed |
ddc 540 ddc 530 Elsevier D: Crystal-field splitting Elsevier C: Electronic structures Elsevier E: First-principles Elsevier C: Crystal structures Elsevier A: Oxides |
| topic_browse |
ddc 540 ddc 530 Elsevier D: Crystal-field splitting Elsevier C: Electronic structures Elsevier E: First-principles Elsevier C: Crystal structures Elsevier A: Oxides |
| format_facet |
Elektronische Aufsätze Aufsätze Elektronische Ressource |
| format_main_str_mv |
Text Zeitschrift/Artikel |
| carriertype_str_mv |
zu |
| author2_variant |
l d ld v j vj |
| hierarchy_parent_title |
Optimism in prolonged grief and depression following loss: A three-wave longitudinal study |
| hierarchy_parent_id |
ELV018237444 |
| dewey-tens |
540 - Chemistry 530 - Physics |
| hierarchy_top_title |
Optimism in prolonged grief and depression following loss: A three-wave longitudinal study |
| isfreeaccess_txt |
false |
| familylinks_str_mv |
(DE-627)ELV018237444 |
| title |
The detailed crystal and electronic structures of the cotunnite-type ZrO2 |
| ctrlnum |
(DE-627)ELV039939278 (ELSEVIER)S0038-1098(16)30045-X |
| title_full |
The detailed crystal and electronic structures of the cotunnite-type ZrO2 |
| author_sort |
Zhang, Yan |
| journal |
Optimism in prolonged grief and depression following loss: A three-wave longitudinal study |
| journalStr |
Optimism in prolonged grief and depression following loss: A three-wave longitudinal study |
| lang_code |
eng |
| isOA_bool |
false |
| dewey-hundreds |
500 - Science |
| recordtype |
marc |
| publishDateSort |
2016 |
| contenttype_str_mv |
zzz |
| container_start_page |
27 |
| author_browse |
Zhang, Yan |
| container_volume |
239 |
| physical |
5 |
| class |
540 530 540 DE-600 530 DE-600 |
| format_se |
Elektronische Aufsätze |
| author-letter |
Zhang, Yan |
| doi_str_mv |
10.1016/j.ssc.2016.04.014 |
| dewey-full |
540 530 |
| title_sort |
detailed crystal and electronic structures of the cotunnite-type zro2 |
| title_auth |
The detailed crystal and electronic structures of the cotunnite-type ZrO2 |
| abstract |
The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states. |
| abstractGer |
The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states. |
| abstract_unstemmed |
The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states. |
| collection_details |
GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_40 |
| title_short |
The detailed crystal and electronic structures of the cotunnite-type ZrO2 |
| url |
https://doi.org/10.1016/j.ssc.2016.04.014 |
| remote_bool |
true |
| author2 |
Duan, Li Ji, Vincent |
| author2Str |
Duan, Li Ji, Vincent |
| ppnlink |
ELV018237444 |
| mediatype_str_mv |
z |
| isOA_txt |
false |
| hochschulschrift_bool |
false |
| author2_role |
oth oth |
| doi_str |
10.1016/j.ssc.2016.04.014 |
| up_date |
2024-07-06T21:52:52.691Z |
| _version_ |
1803868200178286592 |
| fullrecord_marcxml |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">ELV039939278</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230625230340.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">180603s2016 xx |||||o 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1016/j.ssc.2016.04.014</subfield><subfield code="2">doi</subfield></datafield><datafield tag="028" ind1="5" ind2="2"><subfield code="a">GBVA2016001000018.pica</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)ELV039939278</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(ELSEVIER)S0038-1098(16)30045-X</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2=" "><subfield code="a">540</subfield><subfield code="a">530</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">540</subfield><subfield code="q">DE-600</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">530</subfield><subfield code="q">DE-600</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Zhang, Yan</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="4"><subfield code="a">The detailed crystal and electronic structures of the cotunnite-type ZrO2</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2016transfer abstract</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">5</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zzz</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">z</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zu</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states.</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the O I and O II anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to O II , the larger bond lengths between O II and its adjacent five Zr cations ( d O II − Zr ) than those between O I and its adjacent four Zr cations ( d O I − Zr ) makes density of states (DOS) of s and three p ( p x , p y and p z ) states of the O II anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p ( p x , p y and p z ) states of anions O I and O II (between three p ( p x , p y and p z ) states and five d ( d xy , d yz , d xz , d z 2 and d x 2 - y 2 ) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr–O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states.</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">D: Crystal-field splitting</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">C: Electronic structures</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">E: First-principles</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">C: Crystal structures</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">A: Oxides</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Duan, Li</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Ji, Vincent</subfield><subfield code="4">oth</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="n">Elsevier Science</subfield><subfield code="a">Boelen, Paul A. ELSEVIER</subfield><subfield code="t">Optimism in prolonged grief and depression following loss: A three-wave longitudinal study</subfield><subfield code="d">2015transfer abstract</subfield><subfield code="d">an international journal</subfield><subfield code="g">New York, NY [u.a.]</subfield><subfield code="w">(DE-627)ELV018237444</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:239</subfield><subfield code="g">year:2016</subfield><subfield code="g">pages:27-31</subfield><subfield code="g">extent:5</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doi.org/10.1016/j.ssc.2016.04.014</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ELV</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_40</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">239</subfield><subfield code="j">2016</subfield><subfield code="h">27-31</subfield><subfield code="g">5</subfield></datafield><datafield tag="953" ind1=" " ind2=" "><subfield code="2">045F</subfield><subfield code="a">540</subfield></datafield></record></collection>
|
| score |
7.400505 |