人工晶体学报2024，Vol.53Issue(3)：541-550,10.
MnGa二元合金等静压电子结构与磁性质的研究
Study on Electronic Structure and Magnetic Property of MnGa Binary Alloy under Isostatic Pressure
摘要
Abstract
In order to study the electronic structure and magnetic properties of the non-rare earth based MnGa binary alloys under isostatic pressure,the crystal structure,formation,spin electronic structure as well as magnetic property of the tetragonal MnGa alloy under isostatic pressure of 500 MPa were systematically studied based on density functional theory calculation method.The results show that the tetragonal MnGa alloy can be formed easier,however the compressibility is anisotropic under the isostatic pressure of 500 MPa.The distances between heterogeneous species are smaller than that between the homogeneous species.The band structures are anisotropic and metallic.The Mn d states form higher net magnetic moment than that of the Ga d states in the MnGa alloy,and the Mn d states contribute to systematic remanent magnetism.The tetragonal MnGa alloy presents weak ferrimagnetism,its net magnetic moment decreases under 500 MPa.关键词
四方MnGa合金/等静压/晶体结构/自旋电子结构/磁性质/密度泛函理论Key words
tetragonal MnGa alloy/isostatic pressure/crystal structure/spin electronic structure/magnetic property/density functional theory分类
数理科学引用本文复制引用
张飞鹏,路清梅,刘卫强,张东涛,岳明..MnGa二元合金等静压电子结构与磁性质的研究[J].人工晶体学报,2024,53(3):541-550,10.基金项目
国家自然科学基金(51771003) （51771003）
北京市自然科学基金(2202006) （2202006）
