Crystal and Electronic Structures of Molecular Conductor β'-Et_2Me_2P[Pd(dmit)_2]_2 (dmit = C_3S_5) under High Pressure (Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)

概要

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The two-dimensional molecular conductor β'-Et_2Me_2P[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.
社団法人日本物理学会の論文
2004-04-15