Systematic study of the elastic properties of Mn3AC antiperovskite with A = Zn, Al, Ga, In, Tl, Ge and Sn

被引：7

作者：

Medkour, Y. ^{[2
]}

Roumili, A. ^{[2
]}

Maouche, D. ^{[1
]}

Saoudi, A. ^{[1
]}

Louail, L. ^{[1
]}

机构：

[1] Univ Setif, Lab Developing New Mat & Their Characterizat, Setif, Algeria

[2] Univ Setif, LESIMS, Setif, Algeria

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2012年 / 541卷

关键词：

Ab-initio calculations; Elastic properties; Intermetallic compounds; MAGNETIC ENTROPY CHANGE; 1ST-PRINCIPLES; TRANSITION; NITRIDES; MN3GAC;

D O I：

10.1016/j.jallcom.2012.06.081

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

First principle calculations were made to investigate the elastic properties of Mn(3)AC antiperovskites, A = Zn, Al, Ga, In, Tl, Ge and Sn. The estimated equilibrium lattice parameters are in agreement with the experimental ones. From the single crystal elastic constants we have calculated the polycrystalline elastic moduli: the bulk modulus B, shear modulus G, tetragonal shear modulus G', Young's modulus Y, Cauchy's pressure CP, Poisson's ratio v, elastic anisotropy factor and Pugh's criterion G/B. Using Debye's approximation we have deduced the elastic wave velocities and Debye's temperature. (C) 2012 Elsevier B. V. All rights reserved.

引用

页码：75 / 78

页数：4

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