The electronic band structure of hexagonal silicon polytypes
This work is devoted to calculations and an analysis of the electronic band structure (BS) for hexagonal (2H, 4H, 6H) and rhombohedral (9R, 15R, 21R) silicon polytypes using the empirical pseudopotential method (EPM). The calculation results for 3C, 2H and 4H have been in good agreement with experim...
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| Format: | Article |
| Language: | English |
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Peter the Great St.Petersburg Polytechnic University
2024-12-01
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| Series: | St. Petersburg Polytechnical University Journal: Physics and Mathematics |
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| Online Access: | https://physmath.spbstu.ru/article/2024.77.01/ |
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| author | Chizhova Anastasia Nikolskaya Alena Zaitseva Ekaterina Konakov Anton |
| author_facet | Chizhova Anastasia Nikolskaya Alena Zaitseva Ekaterina Konakov Anton |
| author_sort | Chizhova Anastasia |
| collection | DOAJ |
| description | This work is devoted to calculations and an analysis of the electronic band structure (BS) for hexagonal (2H, 4H, 6H) and rhombohedral (9R, 15R, 21R) silicon polytypes using the empirical pseudopotential method (EPM). The calculation results for 3C, 2H and 4H have been in good agreement with experimental data. The data for 6H, 15R and 21R were obtained and analyzed for the first time. The BS for the 9R polytype calculated by EPM was almost identical to that obtained by the density functional theory method. This result indicates the possibility of using EPM for constructing BSs of various polytypes. The advantages of EPM over others were noted. The dependences of the widths of the direct and indirect energy gaps on the of crystal hexagonality degree were also studied. A partial “straightening” of the BS was established with increasing this degree of the objects. |
| format | Article |
| id | doaj-art-5f5a114e3ec8458d9dba33b577eb206d |
| institution | Kabale University |
| issn | 2405-7223 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | Peter the Great St.Petersburg Polytechnic University |
| record_format | Article |
| series | St. Petersburg Polytechnical University Journal: Physics and Mathematics |
| spelling | doaj-art-5f5a114e3ec8458d9dba33b577eb206d2025-01-16T13:35:28ZengPeter the Great St.Petersburg Polytechnic UniversitySt. Petersburg Polytechnical University Journal: Physics and Mathematics2405-72232024-12-0117410.18721/JPM.1740120714726The electronic band structure of hexagonal silicon polytypesChizhova Anastasia0Nikolskaya Alena1Zaitseva Ekaterina2Konakov Anton3Lobachevsky State University of Nizhni NovgorodLobachevsky State University of Nizhni NovgorodLobachevsky State University of Nizhni NovgorodLobachevsky State University of Nizhni NovgorodThis work is devoted to calculations and an analysis of the electronic band structure (BS) for hexagonal (2H, 4H, 6H) and rhombohedral (9R, 15R, 21R) silicon polytypes using the empirical pseudopotential method (EPM). The calculation results for 3C, 2H and 4H have been in good agreement with experimental data. The data for 6H, 15R and 21R were obtained and analyzed for the first time. The BS for the 9R polytype calculated by EPM was almost identical to that obtained by the density functional theory method. This result indicates the possibility of using EPM for constructing BSs of various polytypes. The advantages of EPM over others were noted. The dependences of the widths of the direct and indirect energy gaps on the of crystal hexagonality degree were also studied. A partial “straightening” of the BS was established with increasing this degree of the objects.https://physmath.spbstu.ru/article/2024.77.01/siliconband structurepseudopotential methodpolytypehexagonality |
| spellingShingle | Chizhova Anastasia Nikolskaya Alena Zaitseva Ekaterina Konakov Anton The electronic band structure of hexagonal silicon polytypes St. Petersburg Polytechnical University Journal: Physics and Mathematics silicon band structure pseudopotential method polytype hexagonality |
| title | The electronic band structure of hexagonal silicon polytypes |
| title_full | The electronic band structure of hexagonal silicon polytypes |
| title_fullStr | The electronic band structure of hexagonal silicon polytypes |
| title_full_unstemmed | The electronic band structure of hexagonal silicon polytypes |
| title_short | The electronic band structure of hexagonal silicon polytypes |
| title_sort | electronic band structure of hexagonal silicon polytypes |
| topic | silicon band structure pseudopotential method polytype hexagonality |
| url | https://physmath.spbstu.ru/article/2024.77.01/ |
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