1A1G TO 3B1G CONVERSION AT THE ONSET OF SUPERCONDUCTIVITY IN LA2-XSRXCUO4 DUE TO THE APICAL OXYGEN EFFECT

被引：89

作者：

KAMIMURA, H

ETO, M

机构：

[1] Department of Physics, Faculty of Science, University of Tokyo, Tokyo 113, Bunkyo-ku

来源：

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 1990年 / 59卷 / 09期

关键词：

cluster simulation; high temperature superconductivity; La2-xSrxCuO4; MCSCF method; Nd2-xCexCuO4; spin polaron;

D O I：

10.1143/JPSJ.59.3053

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

By the first-principles variational calculations we show that, with the increase of Sr concentration, the ground state of CuO6 octahedron in La2-xSrxCuO4 changes from 1A1g to 3B1g near the observed onset concentration of superconductivity while the ground state of the CuO4 cluster in Nd2-xCexCuO4 is always 3B1g in the presence of dopant electrons. Based on this result, two kinds of phase diagrams are predicted for hole- and electron-doped superconductors. These results support the spin polaron mechanism proposed by Kamimura et al. © 1990, THE PHYSICAL SOCIETY OF JAPAN. All rights reserved.

引用

页码：3053 / 3056

页数：4

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