A model for the electronic structures of beta and kappa-(BEDT-TTF)(2)X

被引：7

作者：

Okuno, Y

Fukutome, H

机构：

[1] Department of Physics, Kyoto University

来源：

SOLID STATE COMMUNICATIONS | 1997年 / 101卷 / 05期

关键词：

organic crystals; electron-electron interactions;

D O I：

10.1016/S0038-1098(96)00508-X

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

A simple microscopic model is obtained for beta and kappa-(BEDT-TTF)(2)X starting from the PPP model with hyperconjugation of BEDT-TTF. UHF calculations for clusters with intramolecular. electron Coulomb interaction show that only HOMOs are important in the crystals and for most value of the screened electron Coulomb interaction in the HOMO, U, the systems can be represented by dimers consisting of Hubbard type units. The dimers arrange in triangular lattices. The gap in a dimer is small but the electron correlation measured by U/t is very strong. Copyright (C) 1996 Elsevier Science Ltd

引用

页码：355 / 360

页数：6

共 16 条

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