ELECTRONIC-STRUCTURES OF ND2CUO4 AND ITS ELECTRON-DOPED CLUSTER SYSTEMS

被引：4

作者：

ETO, M

SAITO, R

KAMIMURA, H

机构：

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

来源：

MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY | 1990年 / 6卷 / 01期

关键词：

D O I：

10.1016/0921-5107(90)90124-T

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

First principles multi-configuration self-consistent field calculations are performed for the electronic states of NdCuO systems, taking a Cu2O7 cluster as a model. We show that, in the undoped system, electrons localized in Cu dx orbitals interact antiferromagnetically with an exchange coupling constant of 0.28 eV and that, in the electron-doped system, a dopant electron is accomodated in the Cu 4s bonding orbital. © 1990.

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页码：L1 / L4

页数：4

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