Phase Diagram of β'-(BEDT-TTF)2ICl2 under High Pressure Based on the First-Principles Electronic Structure
Hiori Kino, Hiroshi Kontani, Tsuyoshi Miyazaki
Abstract
We present a theoretical study on the superconductivity of β'-(BEDT-TTF)2ICl2 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 dxy-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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