First-Principles Study of Electronic Structure in α-(BEDT-TTF)<sub>2</sub>I<sub>3</sub>at Ambient Pressure and with Uniaxial Strain
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- Kino Hiori
- National Institute for Materials Science
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- Miyazaki Tsuyoshi
- National Institute for Materials Science
書誌事項
- タイトル別名
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- First-Principles Study of Electronic Structure in α-(BEDT-TTF)2I3 at Ambient Pressure and with Uniaxial Strain
- First Principles Study of Electronic Structure in アルファ BEDT TTF 2I3 at Ambient Pressure and with Uniaxial Strain
- First-principles study of electronic structure in α-(BEDT-TTFET)2I3 at ambient pressure and with uniaxial strain
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Within the framework of the density functional theory, we calculate the electronic structure of α-(BEDT-TTF)2I3 at 8 K and room temperature at ambient pressure and with uniaxial strain along the a- and b-axes. We confirm the existence of anisotropic Dirac cone dispersion near the chemical potential. We also extract the orthogonal tight-binding parameters to analyze physical properties. An investigation of the electronic structure near the chemical potential clarifies that effects of uniaxial strain along the a-axis is different from that along the b-axis. The carrier densities show T2 dependence at low temperatures, which may explain the experimental findings not only qualitatively but also quantitatively.
収録刊行物
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- Journal of the Physical Society of Japan
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Journal of the Physical Society of Japan 75 (3), 034704-, 2006
一般社団法人 日本物理学会
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詳細情報
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- CRID
- 1390282679167627136
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- NII論文ID
- 110004704686
- 210000106048
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- NII書誌ID
- AA00704814
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- ISSN
- 13474073
- 00319015
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- NDL書誌ID
- 7852554
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- 本文言語コード
- en
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- データソース種別
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- JaLC
- NDL
- Crossref
- CiNii Articles
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- 抄録ライセンスフラグ
- 使用不可