摘要
采用第一性原理方法,计算并分析TM(TM=V,Cr,Mn,Fe)掺杂LiMgAs体系的能带结构,发现V、Cr、Mn的掺杂使LiMgAs表现半金属性,其中Cr掺杂LiMgAs的半金属能隙最大为0.610eV,具有最稳定的半金属性。实验上,成功合成Li(Mg_(0.97)Cr_(0.03))As晶体,并测量其磁学性质。计算与实验结果表明,Li(Mg_(0.97)Cr_(0.03))As的居里温度为318K,有效磁矩为2.148μ_B/Cr,是一种优秀的半金属室温铁磁材料。
The magnetoelectric properties of the TM-doped LiMgAs(TM=V,Cr,Mn,Fe)systems were calculated and analyzed by using the first-principles calculation,and it was found that the doping of V,Cr,and Mn made LiMgAs exhibit half-metallic properties,among which the half-metallic energy gap of Cr-doped LiMgAs was the largest at 0.610 eV which had the most stable half-metallic properties.Experimentally,Li(Mg_(0.97)Cr_(0.03))As crystals were synthesized successfully,and the magnetic properties were measured.The calculated and experimental results show that Li(Mg_(0.97)Cr_(0.03))As has a curie temperature of 318 K and an effective magnetic moment of 2.148μB/Cr,it is an excellent half-metallic room temperature ferromagnetic material.
作者
罗一瑛
张伟华
黄靖
贾梦蝶
丁守兵
Luo Yiying;Zhang Weihua;Huang Jing;Jia Mengdie;Ding Shoubing(Chongqing Key Laboratory of Photoelectric Functional Materials,College of Physics and Electronic Engineering,Chongqing Normal University,Chongqing,401331)
出处
《当代化工研究》
CAS
2023年第12期27-29,共3页
Modern Chemical Research
