First-Principles Study of Electronic Structure in α-(BEDT-TTF)_2I_3 at Ambient Pressure and with Uniaxial Strain (Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties)
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概要
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Within the framework of the density functional theory, we calculate the electronic structure of α-(BEDT-TTF)_2I_3 at 8K 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 T^2 dependence at low temperatures, which may explain the experimental findings not only qualitatively but also quantitatively.
- 2006-03-15
著者
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KINO Hiori
National Institute for Materials Science
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MIYAZAKI Tsuyoshi
National Institute for Materials Science
関連論文
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