Ab initio analysis of energetics of σ-phase formation in Cr-based systems -: art. no. 174104

被引：45

作者：

Havránková, J

Vrestál, J

Wang, LG

Sob, M

机构：

[1] Masaryk Univ, Fac Sci, Inst Theoret & Phys Chem, CZ-61137 Brno, Czech Republic

[2] Acad Sci Czech Republ, Inst Phys Mat, CZ-61662 Brno, Czech Republic

来源：

PHYSICAL REVIEW B | 2001年 / 63卷 / 17期

关键词：

D O I：

10.1103/PhysRevB.63.174104

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A theoretical approach to the explanation of experimentally determined positive enthalpy of formation in Cr-based sigma phases is presented. It turns out that the energy of formation of sigma phases in Cr-Co and Cr-Fe systems is found to be negative taking the pure components in the sigma -phase structure as the standard states. Our treatment represents a first step to a model of an explanation of the stability of the sigma phase.

引用

页数：5

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