Phase Diagram of $β'$-(BEDT-TTF)$_2$ICl$_2$ under High Pressure Based on the First-Principles Electronic Structure

Hiori Kino; Hiroshi Kontani; Tsuyoshi Miyazaki

doi:10.1143/JPSJ.73.25

paper

Phase Diagram of $β^{'}$ -(BEDT-TTF) $_{2}$ ICl $_{2}$ under High Pressure Based on the First-Principles Electronic Structure

arXiv:cond-mat/0311436 · doi:10.1143/JPSJ.73.25

Abstract

We present a theoretical study on the superconductivity of $β^{'}$ -(BEDT-TTF) $_{2}$ ICl $_{2}$ at $T_{c} =$ 14.2 K under a high hydrostatic pressure recently found, which is the highest among organic superconductors. In the present work, we study an effective model using the fluctuation-exchange (FLEX) approximation based on the results of first-principles calculation. In the obtained phase diagram, the superconductivity with $d_{x y}$ -like symmetry is realized next to the antiferromagnetic phase, as a result of the one-dimensional to two-dimensional crossover driven by the pressure.

4 pages, 3 figures. accepted for publication in J. Phys. Soc. Jpn. errors corrected

Phase Diagram of β′-(BEDT-TTF)2​ICl2​ under High Pressure Based on the First-Principles Electronic Structure

Abstract

Phase Diagram of $β^{'}$ -(BEDT-TTF) $_{2}$ ICl $_{2}$ under High Pressure Based on the First-Principles Electronic Structure