Interrelationship among Electronic States of α -(ET) 2 I 3 , (ET) 2 MHg(SCN) 4 and κ -(ET) 2 X
Interrelationship among Electronic States of α -(ET) 2 I 3 , (ET) 2 MHg(SCN) 4 and κ -(ET) 2 X
复制标题
α -(ET) 2 I 3 、(ET) 2 MHg(SCN) 4 和κ -(ET) 2 X 电子态之间的相互关系
DOI：
10.1143/jpsj.64.4523
复制
发表时间：
1995
影响因子：
1.7
通讯作者：
H. Fukuyama
中科院分区：
文献类型：
--
作者：
H. Kino;H. Fukuyama
从理论上研究了α -(ET) 2i3、（ET） 2mhg (SCN) 4和κ -(ET) 2x电子结构之间的相互关系。在Hartree-Fock近似的绝对零度下，研究了现场库仑相互作用的影响。如果库仑相互作用超过某个临界值，就会出现各种反铁磁态，这些反铁磁态在很大程度上取决于单位胞内ET分子之间的传递积分。以上三种类型的材料在两个传递积分的轴上分类，导致化合物的统一视图。
Interrelationship among electronic structures of α -(ET) 2 I 3 , (ET) 2 MHg(SCN) 4 and κ -(ET) 2 X is studied theoretically. The effects of on-site Coulomb interaction are investigated at absolute zero within the Hartree-Fock approximation. If Coulomb interaction exceeds some critical value, various kinds of antiferromagnetic states emerge, which depend crucially on the transfer integrals between ET molecules in a unit cell. The above three types of materials are classified on the axes of two transfer integrals, leading to a unified view of the compounds.