Electronic structure of Ag₈GeS₆
For the first time, the energy band structure, total and partial densities of states of Ag₈GeS₆ crystal were calculated using the ab initio density functional method in LDA and LDA+U approximations. Argyrodite is a direct-gap semiconductor with the calculated band gap width Eᵍᵈ = 1.46 eV in the LDA+...
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| Veröffentlicht in: | Semiconductor Physics Quantum Electronics & Optoelectronics |
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| Datum: | 2017 |
| Hauptverfasser: | , , , |
| Format: | Artikel |
| Sprache: | Englisch |
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Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України
2017
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| Online Zugang: | https://nasplib.isofts.kiev.ua/handle/123456789/214917 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | Electronic structure of Ag₈GeS₆ / D.I. Bletskan, I.P. Studenyak, V.V. Vakulchak, A.V. Lukach // Semiconductor Physics Quantum Electronics & Optoelectronics. — 2017. — Т. 20, № 1. — С. 19-25. — Бібліогр.: 21 назв. — англ. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| _version_ | 1862551282699468800 |
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| author | Bletskan, D.I. Studenyak, I.P. Vakulchak, V.V. Lukach, A.V. |
| author_facet | Bletskan, D.I. Studenyak, I.P. Vakulchak, V.V. Lukach, A.V. |
| citation_txt | Electronic structure of Ag₈GeS₆ / D.I. Bletskan, I.P. Studenyak, V.V. Vakulchak, A.V. Lukach // Semiconductor Physics Quantum Electronics & Optoelectronics. — 2017. — Т. 20, № 1. — С. 19-25. — Бібліогр.: 21 назв. — англ. |
| collection | DSpace DC |
| container_title | Semiconductor Physics Quantum Electronics & Optoelectronics |
| description | For the first time, the energy band structure, total and partial densities of states of Ag₈GeS₆ crystal were calculated using the ab initio density functional method in LDA and LDA+U approximations. Argyrodite is a direct-gap semiconductor with the calculated band gap width Eᵍᵈ = 1.46 eV in the LDA+U approximation. The valence band of argyrodite contains four energy-separated groups of occupied subzones. The unique feature of the electron-energy structure of Ag₈GeS₆ crystal is the energy overlapping between the occupied d-states of Ag atoms and the delocalized valence p-states of S atoms in relatively close proximity to the valence band top.
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| first_indexed | 2026-03-21T11:50:46Z |
| format | Article |
| fulltext | |
| id | nasplib_isofts_kiev_ua-123456789-214917 |
| institution | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| issn | 1560-8034 |
| language | English |
| last_indexed | 2026-03-21T11:50:46Z |
| publishDate | 2017 |
| publisher | Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України |
| record_format | dspace |
| spelling | Bletskan, D.I. Studenyak, I.P. Vakulchak, V.V. Lukach, A.V. 2026-03-03T11:10:42Z 2017 Electronic structure of Ag₈GeS₆ / D.I. Bletskan, I.P. Studenyak, V.V. Vakulchak, A.V. Lukach // Semiconductor Physics Quantum Electronics & Optoelectronics. — 2017. — Т. 20, № 1. — С. 19-25. — Бібліогр.: 21 назв. — англ. 1560-8034 PACS: 71.15.Mb, 71.20.-b, 74.20.Pq https://nasplib.isofts.kiev.ua/handle/123456789/214917 https://doi.org/10.15407/spqeo20.01.019 For the first time, the energy band structure, total and partial densities of states of Ag₈GeS₆ crystal were calculated using the ab initio density functional method in LDA and LDA+U approximations. Argyrodite is a direct-gap semiconductor with the calculated band gap width Eᵍᵈ = 1.46 eV in the LDA+U approximation. The valence band of argyrodite contains four energy-separated groups of occupied subzones. The unique feature of the electron-energy structure of Ag₈GeS₆ crystal is the energy overlapping between the occupied d-states of Ag atoms and the delocalized valence p-states of S atoms in relatively close proximity to the valence band top. en Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України Semiconductor Physics Quantum Electronics & Optoelectronics Electronic structure of Ag₈GeS₆ Article published earlier |
| spellingShingle | Electronic structure of Ag₈GeS₆ Bletskan, D.I. Studenyak, I.P. Vakulchak, V.V. Lukach, A.V. |
| title | Electronic structure of Ag₈GeS₆ |
| title_full | Electronic structure of Ag₈GeS₆ |
| title_fullStr | Electronic structure of Ag₈GeS₆ |
| title_full_unstemmed | Electronic structure of Ag₈GeS₆ |
| title_short | Electronic structure of Ag₈GeS₆ |
| title_sort | electronic structure of ag₈ges₆ |
| url | https://nasplib.isofts.kiev.ua/handle/123456789/214917 |
| work_keys_str_mv | AT bletskandi electronicstructureofag8ges6 AT studenyakip electronicstructureofag8ges6 AT vakulchakvv electronicstructureofag8ges6 AT lukachav electronicstructureofag8ges6 |