1 research outputs found
First-Principles Study of Electronic Structure in -(BEDT-TTF)I at Ambient Pressure and with Uniaxial Strain
Within the framework of the density functional theory, we calculate the
electronic structure of -(BEDT-TTF)I at 8K and room temperature
at ambient pressure and with uniaxial strain along the - and -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
dependence at low temperatures, which may explain the experimental findings not
only qualitatively but also quantitatively.Comment: 10 pages, 7 figure