Molecular Crystals and Liquid Crystals ( IF 0.7 ) Pub Date : 2021-07-27 , DOI: 10.1080/15421406.2020.1861524 Yuriy Skorenkyy 1 , Oleksandr Kramar 1 , Yuriy Dovhopyaty 1 , Yuriy Drohobytskiy 2
Abstract
The interplay of the inter-site Coulomb repulsion which induces charge ordering, and the correlated hopping of electrons, which causes peculiar dependence of energy characteristics on a doping, is studied in a model of BEDT-TTF organic conductor electronic subsystem. By applying the projection method in the Green function equation of motion approach the single-particle energy spectrum, sublattice magnetization in charge-ordered phase, and the transition temperature have been calculated. Dependence of Verwey temperature on the band filling shows that inter-site Coulomb correlation significantly influences the width of the concentration interval in which a charge order stabilizes. The correlated hopping causes the decrease of the critical value of electron concentration and increase of Verwey temperature in whole concentration interval of charge ordering stability.
中文翻译:
准二维 BEDT-TTF 导体电子子系统中电荷排序的影响
摘要
在 BEDT-TTF 有机导体电子子系统模型中研究了导致电荷排序的位点间库仑排斥和导致能量特性对掺杂的特殊依赖性的相关电子跳跃之间的相互作用。通过应用格林函数运动方程中的投影方法逼近单粒子能谱,计算了电荷有序相中的亚晶格磁化强度和转变温度。Verwey 温度对带填充的依赖性表明,位点间库仑相关性显着影响电荷顺序稳定的浓度区间的宽度。