论文标题
电荷有序系统中的场地库仑相互作用
Intersite Coulomb Interactions in Charge Ordered Systems
论文作者
论文摘要
Using {\it ab initio} approaches for extended Hubbard interactions coupled to phonons, we reveal that the intersite Coulomb interaction plays important roles in determining various distinctive phases of the paradigmatic charge ordered materials of Ba$_{1-x}$K$_x A$O$_3$ ($A=$ Bi and Sb).我们证明，他们所有显着的兴奋剂依赖性实验特征，例如呼吸不稳定性，异常的声子分散以及电荷密度波和超导状态之间的过渡，如果包括自我获得的最近的邻居相互作用，则可以很好地解释，从而将可靠的可靠量准入量的固体订单确定，从而确立了固体量的可靠量。
Using {\it ab initio} approaches for extended Hubbard interactions coupled to phonons, we reveal that the intersite Coulomb interaction plays important roles in determining various distinctive phases of the paradigmatic charge ordered materials of Ba$_{1-x}$K$_x A$O$_3$ ($A=$ Bi and Sb). We demonstrated that all their salient doping dependent experiment features such as breathing instabilities, anomalous phonon dispersions, and transition between charge-density wave and superconducting states can be accounted very well if self-consistently obtained nearest neighbor Hubbard interaction are included, thus establishing a minimal criterion for reliable descriptions of spontaneous charge orders in solids.
