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

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

2003-11-19

arxiv.org/abs/cond-mat/0311436v2

Physics

Condensed Matter

Superconductivity

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

Scientific paper

10.1143/JPSJ.73.25

We present a theoretical study on the superconductivity of $\beta'$-(BEDT-TTF)$_2$ICl$_2$ at $T_{\rm 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 $d_{xy}$-like symmetry is realized next to the antiferromagnetic phase, as a result of the one-dimensional to two-dimensional crossover driven by the pressure.

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