First-Principles Study of Electronic Structure in $\alpha$-(BEDT-TTF)$_2$I$_3$ at Ambient Pressure and with Uniaxial Strain

Within the framework of the density functional theory, we calculate the electronic structure of $α$ -(BEDT-TTF) $_{2}$ I $_{3}$ 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.

First-Principles Study of Electronic Structure in $α$ -(BEDT-TTF) $_{2}$ I $_{3}$ at Ambient Pressure and with Uniaxial Strain

文献摘要

讨论

讲解博客

AI智能校验

First-Principles Study of Electronic Structure in $α$ -(BEDT-TTF) $_{2}$ I $_{3}$ at Ambient Pressure and with Uniaxial Strain

文献摘要

讨论

讲解博客

AI智能校验

First-Principles Study of Electronic Structure in αα-(BEDT-TTF)22​I33​ at Ambient Pressure and with Uniaxial Strain

文献摘要

讨论

|讲解博客

|AI智能校验

First-Principles Study of Electronic Structure in αα-(BEDT-TTF)22​I33​ at Ambient Pressure and with Uniaxial Strain

文献摘要

讨论

|讲解博客

|AI智能校验

First-Principles Study of Electronic Structure in $α$ -(BEDT-TTF) $_{2}$ I $_{3}$ at Ambient Pressure and with Uniaxial Strain

讲解博客

AI智能校验

First-Principles Study of Electronic Structure in $α$ -(BEDT-TTF) $_{2}$ I $_{3}$ at Ambient Pressure and with Uniaxial Strain

讲解博客

AI智能校验