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First-principles study of surface states in topological insulators Bi2Te3 and Bi2Se3: film thickness dependence
http://hdl.handle.net/2297/40164
http://hdl.handle.net/2297/401648b9dae4f-4002-484d-bd36-6bbd1aefbb77
名前 / ファイル | ライセンス | アクション |
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SC-PR-KATO-T-892.pdf (320.2 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2017-10-03 | |||||
タイトル | ||||||
タイトル | First-principles study of surface states in topological insulators Bi2Te3 and Bi2Se3: film thickness dependence | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
資源タイプ | journal article | |||||
著者 |
Kato, Takehiro
× Kato, Takehiro× Kotaka, Hiroki× Ishii, Fumiyuki |
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書誌情報 |
Molecular Simulation 巻 41, 号 10-12, p. 892-895, 発行日 2014-10-09 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 0892-7022 | |||||
NCID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA10720271 | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | 10.1080/08927022.2014.964476 | |||||
出版者 | ||||||
出版者 | Taylor and Francis | |||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | Using first-principles method, we investigated the electronic states of Bi2Te3 and Bi2Se3. We showed that both Bi2Te3 and Bi2Se3 are insulators with a bulk band gap. In contrast, the surface states of Bi2Te3 and Bi2Se3 films have a metallic band connecting the conduction and valence bands. The films have an energy gap at the (Formula presented.) point when the film thickness is less than four quintuple layers (QLs), or about 30 Å. The energy gaps are closed at six QLs and four QLs for Bi2Te3 and Bi2Se3, respectively. We confirmed the metallicity up to nine QLs. Furthermore, we investigated the spin structures of nine-QL films at the Fermi energy in momentum space. We found that both the Bi2Te3 and Bi2Se3 films have Rashba-type spin textures; i.e. the surface states have spin–polarisation. To investigate the spatial distribution of the spin, we decomposed the expected values of the spin for each atom. The expected values of the spin are localised within the third QL from the surface. Our results of nine-QL films clearly show the boundary between the bulk and surface regions. | |||||
著者版フラグ | ||||||
出版タイプ | AM | |||||
出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa |