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

Hiori Kino; Hiroshi Kontani; Tsuyoshi Miyazaki

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arxiv cond-mat/0311436 v2 pith:HCW6ABGM submitted 2003-11-19 cond-mat.supr-con cond-mat.str-el

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

Hiori Kino , Hiroshi Kontani , Tsuyoshi Miyazaki This is my paper

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keywords phasepressurebedt-ttfbetadiagramfirst-principleshighsuperconductivity

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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.

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

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