Investigation on crystal structures, optical properties, and band structure calculations of In2-xMxTeO6 (M = Ga, Bi, La)
The study of structure, optical properties, and band structure of M substituted-In2TeO6 (M = Ga3+, Bi3+, and La3+) is presented. Solubility limit of each cation is different varying from 10% for La3+ to 20% for Ga3+ and 25% for Bi3+. Both XANES and XPS confirm the oxidation states of Bi3+ and Te6+....
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Jiamprasertboon, Arreerat [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2017transfer abstract |
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| Schlagwörter: |
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| Umfang: |
10 |
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| Übergeordnetes Werk: |
Enthalten in: Factors associated with canine resource guarding behaviour in the presence of people: A cross-sectional survey of dog owners - Jacobs, Jacquelyn A. ELSEVIER, 2017, JAL : an interdisciplinary journal of materials science and solid-state chemistry and physics, Lausanne |
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| Übergeordnetes Werk: |
volume:702 ; year:2017 ; day:25 ; month:04 ; pages:601-610 ; extent:10 |
| Links: |
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| DOI / URN: |
10.1016/j.jallcom.2017.01.227 |
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| 245 | 1 | 0 | |a Investigation on crystal structures, optical properties, and band structure calculations of In2-xMxTeO6 (M = Ga, Bi, La) |
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| 520 | |a The study of structure, optical properties, and band structure of M substituted-In2TeO6 (M = Ga3+, Bi3+, and La3+) is presented. Solubility limit of each cation is different varying from 10% for La3+ to 20% for Ga3+ and 25% for Bi3+. Both XANES and XPS confirm the oxidation states of Bi3+ and Te6+. Crystallographic data of bond lengths and bond angles suggest no significant distortion of M-O6 octahedra for all samples; however, the stereoactive 6s2 lone-pair electrons in Bi cause In/Bi cation in In/BiO6 to shift toward one edge of the octahedra. The band structure calculation was useful to clarify that the fundamental band gap energies of all series originate from the direct allowed transition. Interestingly, Bi greatly influences the conduction band dispersion and Bi 6s state additionally contributes at the valence band maximum, while the valence band of other M-doped and un-doped samples are mainly O 2p and In 4d in character. All compounds similarly exhibit photoluminescence properties. The strong PL peak mainly originated from the near band edge transition and the broad peak from Te6+ O charge transfer are observed in all samples. | ||
| 520 | |a The study of structure, optical properties, and band structure of M substituted-In2TeO6 (M = Ga3+, Bi3+, and La3+) is presented. Solubility limit of each cation is different varying from 10% for La3+ to 20% for Ga3+ and 25% for Bi3+. Both XANES and XPS confirm the oxidation states of Bi3+ and Te6+. Crystallographic data of bond lengths and bond angles suggest no significant distortion of M-O6 octahedra for all samples; however, the stereoactive 6s2 lone-pair electrons in Bi cause In/Bi cation in In/BiO6 to shift toward one edge of the octahedra. The band structure calculation was useful to clarify that the fundamental band gap energies of all series originate from the direct allowed transition. Interestingly, Bi greatly influences the conduction band dispersion and Bi 6s state additionally contributes at the valence band maximum, while the valence band of other M-doped and un-doped samples are mainly O 2p and In 4d in character. All compounds similarly exhibit photoluminescence properties. The strong PL peak mainly originated from the near band edge transition and the broad peak from Te6+ O charge transfer are observed in all samples. | ||
| 650 | 7 | |a Band structure calculation |2 Elsevier | |
| 650 | 7 | |a Structure-property relationship |2 Elsevier | |
| 650 | 7 | |a Optical properties |2 Elsevier | |
| 650 | 7 | |a Oxides |2 Elsevier | |
| 650 | 7 | |a Crystal structure |2 Elsevier | |
| 700 | 1 | |a Kongnok, Thanundon |4 oth | |
| 700 | 1 | |a Jungthawan, Sirichok |4 oth | |
| 700 | 1 | |a Kidkhunthod, Pinit |4 oth | |
| 700 | 1 | |a Chanlek, Narong |4 oth | |
| 700 | 1 | |a Siritanon, Theeranun |4 oth | |
| 773 | 0 | 8 | |i Enthalten in |n Elsevier |a Jacobs, Jacquelyn A. ELSEVIER |t Factors associated with canine resource guarding behaviour in the presence of people: A cross-sectional survey of dog owners |d 2017 |d JAL : an interdisciplinary journal of materials science and solid-state chemistry and physics |g Lausanne |w (DE-627)ELV001115774 |
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10.1016/j.jallcom.2017.01.227 doi GBV00000000000101A.pica (DE-627)ELV015268535 (ELSEVIER)S0925-8388(17)30262-1 DE-627 ger DE-627 rakwb eng 670 540 670 DE-600 540 DE-600 630 VZ Jiamprasertboon, Arreerat verfasserin aut Investigation on crystal structures, optical properties, and band structure calculations of In2-xMxTeO6 (M = Ga, Bi, La) 2017transfer abstract 10 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The study of structure, optical properties, and band structure of M substituted-In2TeO6 (M = Ga3+, Bi3+, and La3+) is presented. Solubility limit of each cation is different varying from 10% for La3+ to 20% for Ga3+ and 25% for Bi3+. Both XANES and XPS confirm the oxidation states of Bi3+ and Te6+. Crystallographic data of bond lengths and bond angles suggest no significant distortion of M-O6 octahedra for all samples; however, the stereoactive 6s2 lone-pair electrons in Bi cause In/Bi cation in In/BiO6 to shift toward one edge of the octahedra. The band structure calculation was useful to clarify that the fundamental band gap energies of all series originate from the direct allowed transition. Interestingly, Bi greatly influences the conduction band dispersion and Bi 6s state additionally contributes at the valence band maximum, while the valence band of other M-doped and un-doped samples are mainly O 2p and In 4d in character. All compounds similarly exhibit photoluminescence properties. The strong PL peak mainly originated from the near band edge transition and the broad peak from Te6+ O charge transfer are observed in all samples. The study of structure, optical properties, and band structure of M substituted-In2TeO6 (M = Ga3+, Bi3+, and La3+) is presented. Solubility limit of each cation is different varying from 10% for La3+ to 20% for Ga3+ and 25% for Bi3+. Both XANES and XPS confirm the oxidation states of Bi3+ and Te6+. Crystallographic data of bond lengths and bond angles suggest no significant distortion of M-O6 octahedra for all samples; however, the stereoactive 6s2 lone-pair electrons in Bi cause In/Bi cation in In/BiO6 to shift toward one edge of the octahedra. The band structure calculation was useful to clarify that the fundamental band gap energies of all series originate from the direct allowed transition. Interestingly, Bi greatly influences the conduction band dispersion and Bi 6s state additionally contributes at the valence band maximum, while the valence band of other M-doped and un-doped samples are mainly O 2p and In 4d in character. All compounds similarly exhibit photoluminescence properties. The strong PL peak mainly originated from the near band edge transition and the broad peak from Te6+ O charge transfer are observed in all samples. Band structure calculation Elsevier Structure-property relationship Elsevier Optical properties Elsevier Oxides Elsevier Crystal structure Elsevier Kongnok, Thanundon oth Jungthawan, Sirichok oth Kidkhunthod, Pinit oth Chanlek, Narong oth Siritanon, Theeranun oth Enthalten in Elsevier Jacobs, Jacquelyn A. ELSEVIER Factors associated with canine resource guarding behaviour in the presence of people: A cross-sectional survey of dog owners 2017 JAL : an interdisciplinary journal of materials science and solid-state chemistry and physics Lausanne (DE-627)ELV001115774 volume:702 year:2017 day:25 month:04 pages:601-610 extent:10 https://doi.org/10.1016/j.jallcom.2017.01.227 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA AR 702 2017 25 0425 601-610 10 045F 670 |
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10.1016/j.jallcom.2017.01.227 doi GBV00000000000101A.pica (DE-627)ELV015268535 (ELSEVIER)S0925-8388(17)30262-1 DE-627 ger DE-627 rakwb eng 670 540 670 DE-600 540 DE-600 630 VZ Jiamprasertboon, Arreerat verfasserin aut Investigation on crystal structures, optical properties, and band structure calculations of In2-xMxTeO6 (M = Ga, Bi, La) 2017transfer abstract 10 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The study of structure, optical properties, and band structure of M substituted-In2TeO6 (M = Ga3+, Bi3+, and La3+) is presented. Solubility limit of each cation is different varying from 10% for La3+ to 20% for Ga3+ and 25% for Bi3+. Both XANES and XPS confirm the oxidation states of Bi3+ and Te6+. Crystallographic data of bond lengths and bond angles suggest no significant distortion of M-O6 octahedra for all samples; however, the stereoactive 6s2 lone-pair electrons in Bi cause In/Bi cation in In/BiO6 to shift toward one edge of the octahedra. The band structure calculation was useful to clarify that the fundamental band gap energies of all series originate from the direct allowed transition. Interestingly, Bi greatly influences the conduction band dispersion and Bi 6s state additionally contributes at the valence band maximum, while the valence band of other M-doped and un-doped samples are mainly O 2p and In 4d in character. All compounds similarly exhibit photoluminescence properties. The strong PL peak mainly originated from the near band edge transition and the broad peak from Te6+ O charge transfer are observed in all samples. The study of structure, optical properties, and band structure of M substituted-In2TeO6 (M = Ga3+, Bi3+, and La3+) is presented. Solubility limit of each cation is different varying from 10% for La3+ to 20% for Ga3+ and 25% for Bi3+. Both XANES and XPS confirm the oxidation states of Bi3+ and Te6+. Crystallographic data of bond lengths and bond angles suggest no significant distortion of M-O6 octahedra for all samples; however, the stereoactive 6s2 lone-pair electrons in Bi cause In/Bi cation in In/BiO6 to shift toward one edge of the octahedra. The band structure calculation was useful to clarify that the fundamental band gap energies of all series originate from the direct allowed transition. Interestingly, Bi greatly influences the conduction band dispersion and Bi 6s state additionally contributes at the valence band maximum, while the valence band of other M-doped and un-doped samples are mainly O 2p and In 4d in character. All compounds similarly exhibit photoluminescence properties. The strong PL peak mainly originated from the near band edge transition and the broad peak from Te6+ O charge transfer are observed in all samples. Band structure calculation Elsevier Structure-property relationship Elsevier Optical properties Elsevier Oxides Elsevier Crystal structure Elsevier Kongnok, Thanundon oth Jungthawan, Sirichok oth Kidkhunthod, Pinit oth Chanlek, Narong oth Siritanon, Theeranun oth Enthalten in Elsevier Jacobs, Jacquelyn A. ELSEVIER Factors associated with canine resource guarding behaviour in the presence of people: A cross-sectional survey of dog owners 2017 JAL : an interdisciplinary journal of materials science and solid-state chemistry and physics Lausanne (DE-627)ELV001115774 volume:702 year:2017 day:25 month:04 pages:601-610 extent:10 https://doi.org/10.1016/j.jallcom.2017.01.227 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA AR 702 2017 25 0425 601-610 10 045F 670 |
| allfields_unstemmed |
10.1016/j.jallcom.2017.01.227 doi GBV00000000000101A.pica (DE-627)ELV015268535 (ELSEVIER)S0925-8388(17)30262-1 DE-627 ger DE-627 rakwb eng 670 540 670 DE-600 540 DE-600 630 VZ Jiamprasertboon, Arreerat verfasserin aut Investigation on crystal structures, optical properties, and band structure calculations of In2-xMxTeO6 (M = Ga, Bi, La) 2017transfer abstract 10 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The study of structure, optical properties, and band structure of M substituted-In2TeO6 (M = Ga3+, Bi3+, and La3+) is presented. Solubility limit of each cation is different varying from 10% for La3+ to 20% for Ga3+ and 25% for Bi3+. Both XANES and XPS confirm the oxidation states of Bi3+ and Te6+. Crystallographic data of bond lengths and bond angles suggest no significant distortion of M-O6 octahedra for all samples; however, the stereoactive 6s2 lone-pair electrons in Bi cause In/Bi cation in In/BiO6 to shift toward one edge of the octahedra. The band structure calculation was useful to clarify that the fundamental band gap energies of all series originate from the direct allowed transition. Interestingly, Bi greatly influences the conduction band dispersion and Bi 6s state additionally contributes at the valence band maximum, while the valence band of other M-doped and un-doped samples are mainly O 2p and In 4d in character. All compounds similarly exhibit photoluminescence properties. The strong PL peak mainly originated from the near band edge transition and the broad peak from Te6+ O charge transfer are observed in all samples. The study of structure, optical properties, and band structure of M substituted-In2TeO6 (M = Ga3+, Bi3+, and La3+) is presented. Solubility limit of each cation is different varying from 10% for La3+ to 20% for Ga3+ and 25% for Bi3+. Both XANES and XPS confirm the oxidation states of Bi3+ and Te6+. Crystallographic data of bond lengths and bond angles suggest no significant distortion of M-O6 octahedra for all samples; however, the stereoactive 6s2 lone-pair electrons in Bi cause In/Bi cation in In/BiO6 to shift toward one edge of the octahedra. The band structure calculation was useful to clarify that the fundamental band gap energies of all series originate from the direct allowed transition. Interestingly, Bi greatly influences the conduction band dispersion and Bi 6s state additionally contributes at the valence band maximum, while the valence band of other M-doped and un-doped samples are mainly O 2p and In 4d in character. All compounds similarly exhibit photoluminescence properties. The strong PL peak mainly originated from the near band edge transition and the broad peak from Te6+ O charge transfer are observed in all samples. Band structure calculation Elsevier Structure-property relationship Elsevier Optical properties Elsevier Oxides Elsevier Crystal structure Elsevier Kongnok, Thanundon oth Jungthawan, Sirichok oth Kidkhunthod, Pinit oth Chanlek, Narong oth Siritanon, Theeranun oth Enthalten in Elsevier Jacobs, Jacquelyn A. ELSEVIER Factors associated with canine resource guarding behaviour in the presence of people: A cross-sectional survey of dog owners 2017 JAL : an interdisciplinary journal of materials science and solid-state chemistry and physics Lausanne (DE-627)ELV001115774 volume:702 year:2017 day:25 month:04 pages:601-610 extent:10 https://doi.org/10.1016/j.jallcom.2017.01.227 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA AR 702 2017 25 0425 601-610 10 045F 670 |
| allfieldsGer |
10.1016/j.jallcom.2017.01.227 doi GBV00000000000101A.pica (DE-627)ELV015268535 (ELSEVIER)S0925-8388(17)30262-1 DE-627 ger DE-627 rakwb eng 670 540 670 DE-600 540 DE-600 630 VZ Jiamprasertboon, Arreerat verfasserin aut Investigation on crystal structures, optical properties, and band structure calculations of In2-xMxTeO6 (M = Ga, Bi, La) 2017transfer abstract 10 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The study of structure, optical properties, and band structure of M substituted-In2TeO6 (M = Ga3+, Bi3+, and La3+) is presented. Solubility limit of each cation is different varying from 10% for La3+ to 20% for Ga3+ and 25% for Bi3+. Both XANES and XPS confirm the oxidation states of Bi3+ and Te6+. Crystallographic data of bond lengths and bond angles suggest no significant distortion of M-O6 octahedra for all samples; however, the stereoactive 6s2 lone-pair electrons in Bi cause In/Bi cation in In/BiO6 to shift toward one edge of the octahedra. The band structure calculation was useful to clarify that the fundamental band gap energies of all series originate from the direct allowed transition. Interestingly, Bi greatly influences the conduction band dispersion and Bi 6s state additionally contributes at the valence band maximum, while the valence band of other M-doped and un-doped samples are mainly O 2p and In 4d in character. All compounds similarly exhibit photoluminescence properties. The strong PL peak mainly originated from the near band edge transition and the broad peak from Te6+ O charge transfer are observed in all samples. The study of structure, optical properties, and band structure of M substituted-In2TeO6 (M = Ga3+, Bi3+, and La3+) is presented. Solubility limit of each cation is different varying from 10% for La3+ to 20% for Ga3+ and 25% for Bi3+. Both XANES and XPS confirm the oxidation states of Bi3+ and Te6+. Crystallographic data of bond lengths and bond angles suggest no significant distortion of M-O6 octahedra for all samples; however, the stereoactive 6s2 lone-pair electrons in Bi cause In/Bi cation in In/BiO6 to shift toward one edge of the octahedra. The band structure calculation was useful to clarify that the fundamental band gap energies of all series originate from the direct allowed transition. Interestingly, Bi greatly influences the conduction band dispersion and Bi 6s state additionally contributes at the valence band maximum, while the valence band of other M-doped and un-doped samples are mainly O 2p and In 4d in character. All compounds similarly exhibit photoluminescence properties. The strong PL peak mainly originated from the near band edge transition and the broad peak from Te6+ O charge transfer are observed in all samples. Band structure calculation Elsevier Structure-property relationship Elsevier Optical properties Elsevier Oxides Elsevier Crystal structure Elsevier Kongnok, Thanundon oth Jungthawan, Sirichok oth Kidkhunthod, Pinit oth Chanlek, Narong oth Siritanon, Theeranun oth Enthalten in Elsevier Jacobs, Jacquelyn A. ELSEVIER Factors associated with canine resource guarding behaviour in the presence of people: A cross-sectional survey of dog owners 2017 JAL : an interdisciplinary journal of materials science and solid-state chemistry and physics Lausanne (DE-627)ELV001115774 volume:702 year:2017 day:25 month:04 pages:601-610 extent:10 https://doi.org/10.1016/j.jallcom.2017.01.227 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA AR 702 2017 25 0425 601-610 10 045F 670 |
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10.1016/j.jallcom.2017.01.227 doi GBV00000000000101A.pica (DE-627)ELV015268535 (ELSEVIER)S0925-8388(17)30262-1 DE-627 ger DE-627 rakwb eng 670 540 670 DE-600 540 DE-600 630 VZ Jiamprasertboon, Arreerat verfasserin aut Investigation on crystal structures, optical properties, and band structure calculations of In2-xMxTeO6 (M = Ga, Bi, La) 2017transfer abstract 10 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The study of structure, optical properties, and band structure of M substituted-In2TeO6 (M = Ga3+, Bi3+, and La3+) is presented. Solubility limit of each cation is different varying from 10% for La3+ to 20% for Ga3+ and 25% for Bi3+. Both XANES and XPS confirm the oxidation states of Bi3+ and Te6+. Crystallographic data of bond lengths and bond angles suggest no significant distortion of M-O6 octahedra for all samples; however, the stereoactive 6s2 lone-pair electrons in Bi cause In/Bi cation in In/BiO6 to shift toward one edge of the octahedra. The band structure calculation was useful to clarify that the fundamental band gap energies of all series originate from the direct allowed transition. Interestingly, Bi greatly influences the conduction band dispersion and Bi 6s state additionally contributes at the valence band maximum, while the valence band of other M-doped and un-doped samples are mainly O 2p and In 4d in character. All compounds similarly exhibit photoluminescence properties. The strong PL peak mainly originated from the near band edge transition and the broad peak from Te6+ O charge transfer are observed in all samples. The study of structure, optical properties, and band structure of M substituted-In2TeO6 (M = Ga3+, Bi3+, and La3+) is presented. Solubility limit of each cation is different varying from 10% for La3+ to 20% for Ga3+ and 25% for Bi3+. Both XANES and XPS confirm the oxidation states of Bi3+ and Te6+. Crystallographic data of bond lengths and bond angles suggest no significant distortion of M-O6 octahedra for all samples; however, the stereoactive 6s2 lone-pair electrons in Bi cause In/Bi cation in In/BiO6 to shift toward one edge of the octahedra. The band structure calculation was useful to clarify that the fundamental band gap energies of all series originate from the direct allowed transition. Interestingly, Bi greatly influences the conduction band dispersion and Bi 6s state additionally contributes at the valence band maximum, while the valence band of other M-doped and un-doped samples are mainly O 2p and In 4d in character. All compounds similarly exhibit photoluminescence properties. The strong PL peak mainly originated from the near band edge transition and the broad peak from Te6+ O charge transfer are observed in all samples. Band structure calculation Elsevier Structure-property relationship Elsevier Optical properties Elsevier Oxides Elsevier Crystal structure Elsevier Kongnok, Thanundon oth Jungthawan, Sirichok oth Kidkhunthod, Pinit oth Chanlek, Narong oth Siritanon, Theeranun oth Enthalten in Elsevier Jacobs, Jacquelyn A. ELSEVIER Factors associated with canine resource guarding behaviour in the presence of people: A cross-sectional survey of dog owners 2017 JAL : an interdisciplinary journal of materials science and solid-state chemistry and physics Lausanne (DE-627)ELV001115774 volume:702 year:2017 day:25 month:04 pages:601-610 extent:10 https://doi.org/10.1016/j.jallcom.2017.01.227 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA AR 702 2017 25 0425 601-610 10 045F 670 |
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Enthalten in Factors associated with canine resource guarding behaviour in the presence of people: A cross-sectional survey of dog owners Lausanne volume:702 year:2017 day:25 month:04 pages:601-610 extent:10 |
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Factors associated with canine resource guarding behaviour in the presence of people: A cross-sectional survey of dog owners |
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investigation on crystal structures, optical properties, and band structure calculations of in2-xmxteo6 (m = ga, bi, la) |
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Investigation on crystal structures, optical properties, and band structure calculations of In2-xMxTeO6 (M = Ga, Bi, La) |
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The study of structure, optical properties, and band structure of M substituted-In2TeO6 (M = Ga3+, Bi3+, and La3+) is presented. Solubility limit of each cation is different varying from 10% for La3+ to 20% for Ga3+ and 25% for Bi3+. Both XANES and XPS confirm the oxidation states of Bi3+ and Te6+. Crystallographic data of bond lengths and bond angles suggest no significant distortion of M-O6 octahedra for all samples; however, the stereoactive 6s2 lone-pair electrons in Bi cause In/Bi cation in In/BiO6 to shift toward one edge of the octahedra. The band structure calculation was useful to clarify that the fundamental band gap energies of all series originate from the direct allowed transition. Interestingly, Bi greatly influences the conduction band dispersion and Bi 6s state additionally contributes at the valence band maximum, while the valence band of other M-doped and un-doped samples are mainly O 2p and In 4d in character. All compounds similarly exhibit photoluminescence properties. The strong PL peak mainly originated from the near band edge transition and the broad peak from Te6+ O charge transfer are observed in all samples. |
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The study of structure, optical properties, and band structure of M substituted-In2TeO6 (M = Ga3+, Bi3+, and La3+) is presented. Solubility limit of each cation is different varying from 10% for La3+ to 20% for Ga3+ and 25% for Bi3+. Both XANES and XPS confirm the oxidation states of Bi3+ and Te6+. Crystallographic data of bond lengths and bond angles suggest no significant distortion of M-O6 octahedra for all samples; however, the stereoactive 6s2 lone-pair electrons in Bi cause In/Bi cation in In/BiO6 to shift toward one edge of the octahedra. The band structure calculation was useful to clarify that the fundamental band gap energies of all series originate from the direct allowed transition. Interestingly, Bi greatly influences the conduction band dispersion and Bi 6s state additionally contributes at the valence band maximum, while the valence band of other M-doped and un-doped samples are mainly O 2p and In 4d in character. All compounds similarly exhibit photoluminescence properties. The strong PL peak mainly originated from the near band edge transition and the broad peak from Te6+ O charge transfer are observed in all samples. |
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The study of structure, optical properties, and band structure of M substituted-In2TeO6 (M = Ga3+, Bi3+, and La3+) is presented. Solubility limit of each cation is different varying from 10% for La3+ to 20% for Ga3+ and 25% for Bi3+. Both XANES and XPS confirm the oxidation states of Bi3+ and Te6+. Crystallographic data of bond lengths and bond angles suggest no significant distortion of M-O6 octahedra for all samples; however, the stereoactive 6s2 lone-pair electrons in Bi cause In/Bi cation in In/BiO6 to shift toward one edge of the octahedra. The band structure calculation was useful to clarify that the fundamental band gap energies of all series originate from the direct allowed transition. Interestingly, Bi greatly influences the conduction band dispersion and Bi 6s state additionally contributes at the valence band maximum, while the valence band of other M-doped and un-doped samples are mainly O 2p and In 4d in character. All compounds similarly exhibit photoluminescence properties. The strong PL peak mainly originated from the near band edge transition and the broad peak from Te6+ O charge transfer are observed in all samples. |
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Investigation on crystal structures, optical properties, and band structure calculations of In2-xMxTeO6 (M = Ga, Bi, La) |
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