First-principle study of the effects of Ni doping and point vacancy on the magnetic and absorption spectrum and itinerant electron properties of ZnO
At present, determining which system contains the characteristics of itinerant electrons is unclear by considering the coexistence of Ni doping and O vacancies or Zn vacancies in the ZnO system. The effects of Ni doping and point vacancy on the magnetic and absorption spectra and itinerant electroni...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Hou, Qingyu [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2022transfer abstract |
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| Schlagwörter: |
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| 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.] |
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| Übergeordnetes Werk: |
volume:352 ; year:2022 ; day:1 ; month:09 ; pages:0 |
| Links: |
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| DOI / URN: |
10.1016/j.ssc.2022.114813 |
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ELV057946833 |
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| 520 | |a At present, determining which system contains the characteristics of itinerant electrons is unclear by considering the coexistence of Ni doping and O vacancies or Zn vacancies in the ZnO system. The effects of Ni doping and point vacancy on the magnetic and absorption spectra and itinerant electronic properties of ZnO were studied by using first principles. Results show that the binding energy of Zn30NiO32 and Zn31NiO31 systems are large, and the systems are stable. The Zn30NiO32 system containing the O1−-2p state has the characteristics of itinerant electrons. The Zn31NiO31 system has no characteristics of itinerant electrons. The Zn31NiO31 system has room temperature ferromagnetism. The more the oxygen vacancy and the increase in Ni atom doping ratio, the higher the increase in the total magnetic moment of the doped system. This condition is consistent with bound magnetopolaron theory. | ||
| 520 | |a At present, determining which system contains the characteristics of itinerant electrons is unclear by considering the coexistence of Ni doping and O vacancies or Zn vacancies in the ZnO system. The effects of Ni doping and point vacancy on the magnetic and absorption spectra and itinerant electronic properties of ZnO were studied by using first principles. Results show that the binding energy of Zn30NiO32 and Zn31NiO31 systems are large, and the systems are stable. The Zn30NiO32 system containing the O1−-2p state has the characteristics of itinerant electrons. The Zn31NiO31 system has no characteristics of itinerant electrons. The Zn31NiO31 system has room temperature ferromagnetism. The more the oxygen vacancy and the increase in Ni atom doping ratio, the higher the increase in the total magnetic moment of the doped system. This condition is consistent with bound magnetopolaron theory. | ||
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10.1016/j.ssc.2022.114813 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001794.pica (DE-627)ELV057946833 (ELSEVIER)S0038-1098(22)00150-8 DE-627 ger DE-627 rakwb eng Hou, Qingyu verfasserin aut First-principle study of the effects of Ni doping and point vacancy on the magnetic and absorption spectrum and itinerant electron properties of ZnO 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier At present, determining which system contains the characteristics of itinerant electrons is unclear by considering the coexistence of Ni doping and O vacancies or Zn vacancies in the ZnO system. The effects of Ni doping and point vacancy on the magnetic and absorption spectra and itinerant electronic properties of ZnO were studied by using first principles. Results show that the binding energy of Zn30NiO32 and Zn31NiO31 systems are large, and the systems are stable. The Zn30NiO32 system containing the O1−-2p state has the characteristics of itinerant electrons. The Zn31NiO31 system has no characteristics of itinerant electrons. The Zn31NiO31 system has room temperature ferromagnetism. The more the oxygen vacancy and the increase in Ni atom doping ratio, the higher the increase in the total magnetic moment of the doped system. This condition is consistent with bound magnetopolaron theory. At present, determining which system contains the characteristics of itinerant electrons is unclear by considering the coexistence of Ni doping and O vacancies or Zn vacancies in the ZnO system. The effects of Ni doping and point vacancy on the magnetic and absorption spectra and itinerant electronic properties of ZnO were studied by using first principles. Results show that the binding energy of Zn30NiO32 and Zn31NiO31 systems are large, and the systems are stable. The Zn30NiO32 system containing the O1−-2p state has the characteristics of itinerant electrons. The Zn31NiO31 system has no characteristics of itinerant electrons. The Zn31NiO31 system has room temperature ferromagnetism. The more the oxygen vacancy and the increase in Ni atom doping ratio, the higher the increase in the total magnetic moment of the doped system. This condition is consistent with bound magnetopolaron theory. Ni doping Elsevier Itinerant electron Elsevier Magneto-optical performance Elsevier Point vacancy Elsevier ZnO Elsevier First-principle Elsevier Wang, Zhichao 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:352 year:2022 day:1 month:09 pages:0 https://doi.org/10.1016/j.ssc.2022.114813 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_40 AR 352 2022 1 0901 0 |
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10.1016/j.ssc.2022.114813 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001794.pica (DE-627)ELV057946833 (ELSEVIER)S0038-1098(22)00150-8 DE-627 ger DE-627 rakwb eng Hou, Qingyu verfasserin aut First-principle study of the effects of Ni doping and point vacancy on the magnetic and absorption spectrum and itinerant electron properties of ZnO 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier At present, determining which system contains the characteristics of itinerant electrons is unclear by considering the coexistence of Ni doping and O vacancies or Zn vacancies in the ZnO system. The effects of Ni doping and point vacancy on the magnetic and absorption spectra and itinerant electronic properties of ZnO were studied by using first principles. Results show that the binding energy of Zn30NiO32 and Zn31NiO31 systems are large, and the systems are stable. The Zn30NiO32 system containing the O1−-2p state has the characteristics of itinerant electrons. The Zn31NiO31 system has no characteristics of itinerant electrons. The Zn31NiO31 system has room temperature ferromagnetism. The more the oxygen vacancy and the increase in Ni atom doping ratio, the higher the increase in the total magnetic moment of the doped system. This condition is consistent with bound magnetopolaron theory. At present, determining which system contains the characteristics of itinerant electrons is unclear by considering the coexistence of Ni doping and O vacancies or Zn vacancies in the ZnO system. The effects of Ni doping and point vacancy on the magnetic and absorption spectra and itinerant electronic properties of ZnO were studied by using first principles. Results show that the binding energy of Zn30NiO32 and Zn31NiO31 systems are large, and the systems are stable. The Zn30NiO32 system containing the O1−-2p state has the characteristics of itinerant electrons. The Zn31NiO31 system has no characteristics of itinerant electrons. The Zn31NiO31 system has room temperature ferromagnetism. The more the oxygen vacancy and the increase in Ni atom doping ratio, the higher the increase in the total magnetic moment of the doped system. This condition is consistent with bound magnetopolaron theory. Ni doping Elsevier Itinerant electron Elsevier Magneto-optical performance Elsevier Point vacancy Elsevier ZnO Elsevier First-principle Elsevier Wang, Zhichao 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:352 year:2022 day:1 month:09 pages:0 https://doi.org/10.1016/j.ssc.2022.114813 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_40 AR 352 2022 1 0901 0 |
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10.1016/j.ssc.2022.114813 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001794.pica (DE-627)ELV057946833 (ELSEVIER)S0038-1098(22)00150-8 DE-627 ger DE-627 rakwb eng Hou, Qingyu verfasserin aut First-principle study of the effects of Ni doping and point vacancy on the magnetic and absorption spectrum and itinerant electron properties of ZnO 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier At present, determining which system contains the characteristics of itinerant electrons is unclear by considering the coexistence of Ni doping and O vacancies or Zn vacancies in the ZnO system. The effects of Ni doping and point vacancy on the magnetic and absorption spectra and itinerant electronic properties of ZnO were studied by using first principles. Results show that the binding energy of Zn30NiO32 and Zn31NiO31 systems are large, and the systems are stable. The Zn30NiO32 system containing the O1−-2p state has the characteristics of itinerant electrons. The Zn31NiO31 system has no characteristics of itinerant electrons. The Zn31NiO31 system has room temperature ferromagnetism. The more the oxygen vacancy and the increase in Ni atom doping ratio, the higher the increase in the total magnetic moment of the doped system. This condition is consistent with bound magnetopolaron theory. At present, determining which system contains the characteristics of itinerant electrons is unclear by considering the coexistence of Ni doping and O vacancies or Zn vacancies in the ZnO system. The effects of Ni doping and point vacancy on the magnetic and absorption spectra and itinerant electronic properties of ZnO were studied by using first principles. Results show that the binding energy of Zn30NiO32 and Zn31NiO31 systems are large, and the systems are stable. The Zn30NiO32 system containing the O1−-2p state has the characteristics of itinerant electrons. The Zn31NiO31 system has no characteristics of itinerant electrons. The Zn31NiO31 system has room temperature ferromagnetism. The more the oxygen vacancy and the increase in Ni atom doping ratio, the higher the increase in the total magnetic moment of the doped system. This condition is consistent with bound magnetopolaron theory. Ni doping Elsevier Itinerant electron Elsevier Magneto-optical performance Elsevier Point vacancy Elsevier ZnO Elsevier First-principle Elsevier Wang, Zhichao 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:352 year:2022 day:1 month:09 pages:0 https://doi.org/10.1016/j.ssc.2022.114813 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_40 AR 352 2022 1 0901 0 |
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10.1016/j.ssc.2022.114813 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001794.pica (DE-627)ELV057946833 (ELSEVIER)S0038-1098(22)00150-8 DE-627 ger DE-627 rakwb eng Hou, Qingyu verfasserin aut First-principle study of the effects of Ni doping and point vacancy on the magnetic and absorption spectrum and itinerant electron properties of ZnO 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier At present, determining which system contains the characteristics of itinerant electrons is unclear by considering the coexistence of Ni doping and O vacancies or Zn vacancies in the ZnO system. The effects of Ni doping and point vacancy on the magnetic and absorption spectra and itinerant electronic properties of ZnO were studied by using first principles. Results show that the binding energy of Zn30NiO32 and Zn31NiO31 systems are large, and the systems are stable. The Zn30NiO32 system containing the O1−-2p state has the characteristics of itinerant electrons. The Zn31NiO31 system has no characteristics of itinerant electrons. The Zn31NiO31 system has room temperature ferromagnetism. The more the oxygen vacancy and the increase in Ni atom doping ratio, the higher the increase in the total magnetic moment of the doped system. This condition is consistent with bound magnetopolaron theory. At present, determining which system contains the characteristics of itinerant electrons is unclear by considering the coexistence of Ni doping and O vacancies or Zn vacancies in the ZnO system. The effects of Ni doping and point vacancy on the magnetic and absorption spectra and itinerant electronic properties of ZnO were studied by using first principles. Results show that the binding energy of Zn30NiO32 and Zn31NiO31 systems are large, and the systems are stable. The Zn30NiO32 system containing the O1−-2p state has the characteristics of itinerant electrons. The Zn31NiO31 system has no characteristics of itinerant electrons. The Zn31NiO31 system has room temperature ferromagnetism. The more the oxygen vacancy and the increase in Ni atom doping ratio, the higher the increase in the total magnetic moment of the doped system. This condition is consistent with bound magnetopolaron theory. Ni doping Elsevier Itinerant electron Elsevier Magneto-optical performance Elsevier Point vacancy Elsevier ZnO Elsevier First-principle Elsevier Wang, Zhichao 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:352 year:2022 day:1 month:09 pages:0 https://doi.org/10.1016/j.ssc.2022.114813 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_40 AR 352 2022 1 0901 0 |
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10.1016/j.ssc.2022.114813 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001794.pica (DE-627)ELV057946833 (ELSEVIER)S0038-1098(22)00150-8 DE-627 ger DE-627 rakwb eng Hou, Qingyu verfasserin aut First-principle study of the effects of Ni doping and point vacancy on the magnetic and absorption spectrum and itinerant electron properties of ZnO 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier At present, determining which system contains the characteristics of itinerant electrons is unclear by considering the coexistence of Ni doping and O vacancies or Zn vacancies in the ZnO system. The effects of Ni doping and point vacancy on the magnetic and absorption spectra and itinerant electronic properties of ZnO were studied by using first principles. Results show that the binding energy of Zn30NiO32 and Zn31NiO31 systems are large, and the systems are stable. The Zn30NiO32 system containing the O1−-2p state has the characteristics of itinerant electrons. The Zn31NiO31 system has no characteristics of itinerant electrons. The Zn31NiO31 system has room temperature ferromagnetism. The more the oxygen vacancy and the increase in Ni atom doping ratio, the higher the increase in the total magnetic moment of the doped system. This condition is consistent with bound magnetopolaron theory. At present, determining which system contains the characteristics of itinerant electrons is unclear by considering the coexistence of Ni doping and O vacancies or Zn vacancies in the ZnO system. The effects of Ni doping and point vacancy on the magnetic and absorption spectra and itinerant electronic properties of ZnO were studied by using first principles. Results show that the binding energy of Zn30NiO32 and Zn31NiO31 systems are large, and the systems are stable. The Zn30NiO32 system containing the O1−-2p state has the characteristics of itinerant electrons. The Zn31NiO31 system has no characteristics of itinerant electrons. The Zn31NiO31 system has room temperature ferromagnetism. The more the oxygen vacancy and the increase in Ni atom doping ratio, the higher the increase in the total magnetic moment of the doped system. This condition is consistent with bound magnetopolaron theory. Ni doping Elsevier Itinerant electron Elsevier Magneto-optical performance Elsevier Point vacancy Elsevier ZnO Elsevier First-principle Elsevier Wang, Zhichao 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:352 year:2022 day:1 month:09 pages:0 https://doi.org/10.1016/j.ssc.2022.114813 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_40 AR 352 2022 1 0901 0 |
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Enthalten in Optimism in prolonged grief and depression following loss: A three-wave longitudinal study New York, NY [u.a.] volume:352 year:2022 day:1 month:09 pages:0 |
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First-principle study of the effects of Ni doping and point vacancy on the magnetic and absorption spectrum and itinerant electron properties of ZnO |
| ctrlnum |
(DE-627)ELV057946833 (ELSEVIER)S0038-1098(22)00150-8 |
| title_full |
First-principle study of the effects of Ni doping and point vacancy on the magnetic and absorption spectrum and itinerant electron properties of ZnO |
| author_sort |
Hou, Qingyu |
| 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 |
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eng |
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2022 |
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Hou, Qingyu |
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352 |
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Elektronische Aufsätze |
| author-letter |
Hou, Qingyu |
| doi_str_mv |
10.1016/j.ssc.2022.114813 |
| title_sort |
first-principle study of the effects of ni doping and point vacancy on the magnetic and absorption spectrum and itinerant electron properties of zno |
| title_auth |
First-principle study of the effects of Ni doping and point vacancy on the magnetic and absorption spectrum and itinerant electron properties of ZnO |
| abstract |
At present, determining which system contains the characteristics of itinerant electrons is unclear by considering the coexistence of Ni doping and O vacancies or Zn vacancies in the ZnO system. The effects of Ni doping and point vacancy on the magnetic and absorption spectra and itinerant electronic properties of ZnO were studied by using first principles. Results show that the binding energy of Zn30NiO32 and Zn31NiO31 systems are large, and the systems are stable. The Zn30NiO32 system containing the O1−-2p state has the characteristics of itinerant electrons. The Zn31NiO31 system has no characteristics of itinerant electrons. The Zn31NiO31 system has room temperature ferromagnetism. The more the oxygen vacancy and the increase in Ni atom doping ratio, the higher the increase in the total magnetic moment of the doped system. This condition is consistent with bound magnetopolaron theory. |
| abstractGer |
At present, determining which system contains the characteristics of itinerant electrons is unclear by considering the coexistence of Ni doping and O vacancies or Zn vacancies in the ZnO system. The effects of Ni doping and point vacancy on the magnetic and absorption spectra and itinerant electronic properties of ZnO were studied by using first principles. Results show that the binding energy of Zn30NiO32 and Zn31NiO31 systems are large, and the systems are stable. The Zn30NiO32 system containing the O1−-2p state has the characteristics of itinerant electrons. The Zn31NiO31 system has no characteristics of itinerant electrons. The Zn31NiO31 system has room temperature ferromagnetism. The more the oxygen vacancy and the increase in Ni atom doping ratio, the higher the increase in the total magnetic moment of the doped system. This condition is consistent with bound magnetopolaron theory. |
| abstract_unstemmed |
At present, determining which system contains the characteristics of itinerant electrons is unclear by considering the coexistence of Ni doping and O vacancies or Zn vacancies in the ZnO system. The effects of Ni doping and point vacancy on the magnetic and absorption spectra and itinerant electronic properties of ZnO were studied by using first principles. Results show that the binding energy of Zn30NiO32 and Zn31NiO31 systems are large, and the systems are stable. The Zn30NiO32 system containing the O1−-2p state has the characteristics of itinerant electrons. The Zn31NiO31 system has no characteristics of itinerant electrons. The Zn31NiO31 system has room temperature ferromagnetism. The more the oxygen vacancy and the increase in Ni atom doping ratio, the higher the increase in the total magnetic moment of the doped system. This condition is consistent with bound magnetopolaron theory. |
| collection_details |
GBV_USEFLAG_U GBV_ELV SYSFLAG_U GBV_ILN_40 |
| title_short |
First-principle study of the effects of Ni doping and point vacancy on the magnetic and absorption spectrum and itinerant electron properties of ZnO |
| url |
https://doi.org/10.1016/j.ssc.2022.114813 |
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| author2 |
Wang, Zhichao |
| author2Str |
Wang, Zhichao |
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10.1016/j.ssc.2022.114813 |
| up_date |
2024-07-06T17:37:43.443Z |
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