A First-Principles Study on CrZrMnGa

被引：2

作者：

Feng, Lei ^{[1
]}

Jiang, Wufeng ^{[2
]}

Zheng, Shenbai ^{[2
]}

Hao, Suju ^{[2
]}

Zhang, Yuzhu ^{[2
]}

Dong, Li ^{[1
]}

机构：

[1] Hebei United Univ, Qianan Coll, Tangshan, Peoples R China

[2] Hebei United Univ, Met & Energy Coll, Tangshan, Peoples R China

来源：

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM | 2015年 / 28卷 / 06期

基金：

中国国家自然科学基金;

关键词：

Heusler alloy; First-principles; Half-metal ferromagnet; Spin polarization; Magnetic moment; HALF-METALLIC FERRIMAGNETISM; TRANSFORMATION;

D O I：

10.1007/s10948-015-2962-4

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

In this paper, a new quaternary full Heusler compound CrZrMnGa is obtained and systematically studied by first-principles calculations. The calculations show the majority spin is strongly metallic character, while the minority spin has an insulating behavior in its band structure. The compound has a precisely total magnetic moment of 2.00 mu (B) per formula by first-principles calculations. This result complies well with the generalized Slater-Pauling (SP) rule M (t) = Z (t) - 18. All the results show that CrZrMnGa with Hg2CuTi-type structure is a new half-metal ferromagnet by first-principles calculations.

引用

页码：1871 / 1873

页数：3

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