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
收藏
页码：801 / 804
页数：4
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