2004 年 73 巻 4 号 p. 976-982
The two-dimensional molecular conductor β′-Et2Me2P[Pd(dmit)2]2 is a Mott insulator under ambient pressure and exhibits a metallic state accompanied by the superconductivity with applying pressure. And, in the higher pressure region, another non-metallic behavior appears. X-ray single-crystal structure analyses under high pressures were performed at room and low temperatures to reveal the mechanism of the pressure effect. Tight-binding band calculations based on the resultant structural data indicate that the insulator-to-metal transition is a Mott transition due to an increase of the band width of the HOMO-based band and the HOMO–LUMO band overlap mechanism proposed in the previous report does not apply to this case. The high-pressure non-metallic state is relevant to the structural transition with a symmetry breaking.
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