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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| Дата: | 2013 |
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| Автори: | , , , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
НТК «Інститут монокристалів» НАН України
2013
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| Назва видання: | Functional Materials |
| Теми: | |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/119905 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | 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. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
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dspace |
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irk-123456789-1199052017-06-11T03:04:31Z 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 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. 2013 Article 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 http://dspace.nbuv.gov.ua/handle/123456789/119905 en Functional Materials НТК «Інститут монокристалів» НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| topic |
Modeling and simulation Modeling and simulation |
| spellingShingle |
Modeling and simulation Modeling and simulation Klevets, V.Yu. Savchenko, N.D. Shchurova, T.N. Opachko, I.I. Popovic, K.O. Modelling of periodic heterostructures based on tin and phosphorus chalcogenides 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. |
| format |
Article |
| 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. |
| author_sort |
Klevets, V.Yu. |
| title |
Modelling of periodic heterostructures based on tin and phosphorus chalcogenides |
| title_short |
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_sort |
modelling of periodic heterostructures based on tin and phosphorus chalcogenides |
| publisher |
НТК «Інститут монокристалів» НАН України |
| publishDate |
2013 |
| topic_facet |
Modeling and simulation |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/119905 |
| 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. |
| series |
Functional Materials |
| work_keys_str_mv |
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| first_indexed |
2023-10-18T20:35:43Z |
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2023-10-18T20:35:43Z |
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1796150610346639360 |