Charge Order with Structural Distortion in Organic Conductors: Comparison between θ-(ET)2RbZn(SCN)4 and α-(ET)2I3

Y Tanaka, K Yonemitsu - journal of the physical society of japan, 2008 - journals.jps.jp
journal of the physical society of japan, 2008journals.jps.jp
Charge ordering with structural distortion in quasi-two-dimensional organic conductors θ-
(ET) 2 RbZn (SCN) 4 (ET= BEDT-TTF) and α-(ET) 2 I 3 is investigated theoretically. By using
the Hartree–Fock approximation for an extended Hubbard model which includes both on-
site and intersite Coulomb interactions together with Peierls-type electron–lattice couplings,
we examine the role of lattice degrees of freedom on charge order. It is found that the
experimentally observed, horizontal charge order is stabilized by lattice distortion in both …
Charge ordering with structural distortion in quasi-two-dimensional organic conductors θ-(ET) 2 RbZn(SCN) 4 (ET = BEDT-TTF) and α-(ET) 2 I 3 is investigated theoretically. By using the Hartree–Fock approximation for an extended Hubbard model which includes both on-site and intersite Coulomb interactions together with Peierls-type electron–lattice couplings, we examine the role of lattice degrees of freedom on charge order. It is found that the experimentally observed, horizontal charge order is stabilized by lattice distortion in both compounds. In particular, the lattice effect is crucial to the realization of the charge order in θ-(ET) 2 RbZn(SCN) 4 , while the peculiar band structure whose symmetry is lower than that of θ-(ET) 2 RbZn(SCN) 4 in the metallic phase is also an important factor in α-(ET) 2 I 3 together with the lattice distortion. For α-(ET) 2 I 3 , we obtain a phase transition from a charge-disproportionated metallic phase to the horizontal charge order with lattice modulations, which is consistent with the latest X-ray experimental result.
journals.jps.jp
以上显示的是最相近的搜索结果。 查看全部搜索结果