Atomic charges in RBa(2)Cu(3)O(7) superconductor lattices. Electronic structure of the copper atoms

被引：5

作者：

Masterov, VF

Seregin, PP

Nasredinov, FS

Seregin, NP

Sagatov, MA

机构：

[1] St. Petersburg Stt. Tech. University, 195 251 St. Petersburg

来源：

PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1996年 / 196卷 / 01期

关键词：

D O I：

10.1002/pssb.2221960103

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The effective atomic charges for all sites of the RBa(2)Cu(3)O(7) lattices have been found using our Mossbauer data with the Cu-67(Zn-67), Ba-133(Cs-133), Eu-155(Gd-155) isotopes, our calculations of the lattice electric field gradient (EFG) at the lattice sites, as well as the O-17 NMR data available in literature. The charges show holes placed in the chain oxygen sublattice mainly. The Cu2+ Sternheimer factor has been estimated and the Cu2+ valence EFG in YBa2Cu3O7 has been found. The z-axes of the total, lattice, and valence EFG tensors for Cu(2) coincide with the crystal axis c. For Cu(1) they coincide with the axes b, a, and a, respectively.

引用

页码：11 / 23

页数：13

共 27 条

[1] STRUCTURAL IMPLICATIONS OF NUCLEAR ELECTRIC QUADRUPOLE SPLITTINGS IN HIGH-TC SUPERCONDUCTORS [J].