ELECTRONIC-STRUCTURE, MAGNETISM, AND STABILITY OF CO-DOPED NIAL

被引：21

作者：

SINGH, DJ

机构：

[1] Complex Systems Theory Branch, Naval Research Laboratory, Washington

来源：

PHYSICAL REVIEW B | 1992年 / 46卷 / 22期

关键词：

D O I：

10.1103/PhysRevB.46.14392

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Total-energy and electronic-structure calculations for Co-doped NiAl are reported. The energy of a substitutional Co in NiAl is found to be approximately 11 mRy. For the doping levels considered (0-25 % substitution on the transition-metal site) no evidence of structural instabilities or anomalies in elastic behavior is found. However, magnetic behavior is predicted for large Co concentrations. Strong nonrigid-band behavior is found for the doped system, and a high electronic density of states is associated with the Co atoms.

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页码：14392 / 14397

页数：6

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