ELECTRONIC-STRUCTURE OF TL-BA-CA-CU-O SYSTEMS

被引：3

作者：

BREZA, M

BOCA, R

机构：

[1] Department of Inorganic Chemistry, Slovak Technical University

来源：

SOLID STATE COMMUNICATIONS | 1990年 / 74卷 / 08期

关键词：

D O I：

10.1016/0038-1098(90)90938-8

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Electronic structure of Tl2Ba2Can-1CunO4+2n superconductors for n = 1, 2 and 3 has been studied. Dimeric [Tl4Ba12Ca6n-6Cu2nO16+7n]2n-8 units have been investigates using the quasirelativistic INDO molecular orbital method. The dependences of d-electron populations, atomic charges, Wiberg indices, the density of state (DOS) function and its d-orbital projection on the number, n, of CuO2 layers in the unit cell, exhibit some interesting trends. © 1990.

引用

页码：801 / 804

页数：4

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