Modelling of periodic heterostructures based on tin and phosphorus chalcogenides
In terms of tight-binding approximation and pseudopotential theory the following energy parameters for binary tin and phosphorus chalcogenides: band gap, electron affinity energy and energy position of Fermi level have been calculated. The effect of spin-orbit interaction, chemical bond polarity, d-...
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| Veröffentlicht in: | Functional Materials |
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| Datum: | 2013 |
| Hauptverfasser: | , , , , |
| Format: | Artikel |
| Sprache: | Englisch |
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НТК «Інститут монокристалів» НАН України
2013
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| Online Zugang: | https://nasplib.isofts.kiev.ua/handle/123456789/119905 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | Modelling of periodic heterostructures based on tin and phosphorus chalcogenides / V.Yu. Klevets, N.D. Savchenko, T.N. Shchurova, I.I. Opachko, K.O. Popovic // Functional Materials. — 2013. — Т. 20, № 1. — С. 97-102. — Бібліогр.: 12 назв. — англ. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| _version_ | 1862729172771667968 |
|---|---|
| author | Klevets, V.Yu. Savchenko, N.D. Shchurova, T.N. Opachko, I.I. Popovic, K.O. |
| author_facet | Klevets, V.Yu. Savchenko, N.D. Shchurova, T.N. Opachko, I.I. Popovic, K.O. |
| citation_txt | Modelling of periodic heterostructures based on tin and phosphorus chalcogenides / V.Yu. Klevets, N.D. Savchenko, T.N. Shchurova, I.I. Opachko, K.O. Popovic // Functional Materials. — 2013. — Т. 20, № 1. — С. 97-102. — Бібліогр.: 12 назв. — англ. |
| collection | DSpace DC |
| container_title | Functional Materials |
| description | In terms of tight-binding approximation and pseudopotential theory the following energy parameters for binary tin and phosphorus chalcogenides: band gap, electron affinity energy and energy position of Fermi level have been calculated. The effect of spin-orbit interaction, chemical bond polarity, d-states, and the intra-atomic Coulomb repulsion energy on the energy band parameters has been analyzed. Energy band diagrams for binary tin and phosphorus chalcogenides, as well as for periodic SnSe–PSe heterostructures dependent on the way of Fermi level determination have been given.
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| first_indexed | 2025-12-07T19:13:36Z |
| format | Article |
| fulltext | |
| id | nasplib_isofts_kiev_ua-123456789-119905 |
| institution | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| issn | 1027-5495 |
| language | English |
| last_indexed | 2025-12-07T19:13:36Z |
| publishDate | 2013 |
| publisher | НТК «Інститут монокристалів» НАН України |
| record_format | dspace |
| spelling | Klevets, V.Yu. Savchenko, N.D. Shchurova, T.N. Opachko, I.I. Popovic, K.O. 2017-06-10T11:00:43Z 2017-06-10T11:00:43Z 2013 Modelling of periodic heterostructures based on tin and phosphorus chalcogenides / V.Yu. Klevets, N.D. Savchenko, T.N. Shchurova, I.I. Opachko, K.O. Popovic // Functional Materials. — 2013. — Т. 20, № 1. — С. 97-102. — Бібліогр.: 12 назв. — англ. 1027-5495 DOI: dx.doi.org/10.15407/fm20.01.097 https://nasplib.isofts.kiev.ua/handle/123456789/119905 In terms of tight-binding approximation and pseudopotential theory the following energy parameters for binary tin and phosphorus chalcogenides: band gap, electron affinity energy and energy position of Fermi level have been calculated. The effect of spin-orbit interaction, chemical bond polarity, d-states, and the intra-atomic Coulomb repulsion energy on the energy band parameters has been analyzed. Energy band diagrams for binary tin and phosphorus chalcogenides, as well as for periodic SnSe–PSe heterostructures dependent on the way of Fermi level determination have been given. en НТК «Інститут монокристалів» НАН України Functional Materials Modeling and simulation Modelling of periodic heterostructures based on tin and phosphorus chalcogenides Article published earlier |
| spellingShingle | Modelling of periodic heterostructures based on tin and phosphorus chalcogenides Klevets, V.Yu. Savchenko, N.D. Shchurova, T.N. Opachko, I.I. Popovic, K.O. Modeling and simulation |
| title | Modelling of periodic heterostructures based on tin and phosphorus chalcogenides |
| title_full | Modelling of periodic heterostructures based on tin and phosphorus chalcogenides |
| title_fullStr | Modelling of periodic heterostructures based on tin and phosphorus chalcogenides |
| title_full_unstemmed | Modelling of periodic heterostructures based on tin and phosphorus chalcogenides |
| title_short | Modelling of periodic heterostructures based on tin and phosphorus chalcogenides |
| title_sort | modelling of periodic heterostructures based on tin and phosphorus chalcogenides |
| topic | Modeling and simulation |
| topic_facet | Modeling and simulation |
| url | https://nasplib.isofts.kiev.ua/handle/123456789/119905 |
| work_keys_str_mv | AT klevetsvyu modellingofperiodicheterostructuresbasedontinandphosphoruschalcogenides AT savchenkond modellingofperiodicheterostructuresbasedontinandphosphoruschalcogenides AT shchurovatn modellingofperiodicheterostructuresbasedontinandphosphoruschalcogenides AT opachkoii modellingofperiodicheterostructuresbasedontinandphosphoruschalcogenides AT popovicko modellingofperiodicheterostructuresbasedontinandphosphoruschalcogenides |