THE ELECTRIC-FIELD GRADIENTS FROM THE ON-SITE HOLES AT CU AND O NUCLEI IN YBA2CU3O7

被引：41

作者：

HANZAWA, K

KOMATSU, F

YOSIDA, K

机构：

[1] Department of Physics, Science University of Tokyo

来源：

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

关键词：

D O I：

10.1143/JPSJ.59.3345

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A consistent explanation of the electric field gradients at Cu and O nuclei in YBa2Cu3O7 is obtained provided that on-site 3d and 2p holes give the dominant contributions. The number of holes per Cu(2) site in the planer dx-pσ antibonding orbital is estimated to be nearly one (that is, the orbital is nearly half-filled), more than half of which are attributed to the oxygen 2p holes. For oxygen sites, it is necessary to consider both the pσ and pπ holes, while more than 80% of 2p holes reside on the pσ orbitals in all oxygen sites. © 1990, THE PHYSICAL SOCIETY OF JAPAN. All rights reserved.

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页码：3345 / 3350

页数：6

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