Ti2MnZ (Z = Si, Ge, Sn, Sb, Bi) compounds: A first-principles study of electronic structures and magnetism

被引：11

作者：

Zhang, L. ^{[1
]}

Wang, L. Y. ^{[2
]}

Lu, J. J. ^{[2
]}

Wang, X. T. ^{[2
]}

Wang, L. ^{[3
]}

机构：

[1] Tonghua Normal Univ, Sch Phys, Tonghua 134002, Peoples R China

[2] Hebei Univ Technol, Sch Mat Sci & Engn, Tianjin 300130, Peoples R China

[3] Liaoning Normal Univ, Sch Phys & Elect Technol, Dalian 116029, Peoples R China

来源：

JOURNAL OF THE KOREAN PHYSICAL SOCIETY | 2014年 / 65卷 / 12期

关键词：

Magnetism; Heusler compounds; Half-metallic ferrimagnets; GENERALIZED GRADIENT APPROXIMATION; HALF-METALLIC FERRIMAGNETISM; HEUSLER ALLOYS; CO; FERROMAGNETISM; SEARCH; MN; FE; CR;

D O I：

10.3938/jkps.65.2058

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The electronic structures and the magnetism characteristics of Ti(2)MnZ (Z = Si, Ge, Sn, Sb, Bi) compounds with CuHg2Ti-type structure were systematically investigated. Ti(2)MnZ (Z = Si, Ge, Sn, Sb, Bi) compounds are predicted to be half-metallic ferrimagnets at their equilibrium lattice parameters. There are three types of half-metallic gaps according to the Z element. Ti2Mn-based compounds have M (t) (the total magnetic moment per unit cell) and Z (t) (the valence concentration) values that do not follow the M (t) = Z (t) - 24 rule but instead follow the M (t) = Z (t) - 18 rule. The M (t) = Z (t) - 18 rule, and the effect of the lattice parameters on the electronic structure and the magnetic properties are discussed in detail.

引用

页码：2058 / 2065

页数：8

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