Magnetic trends in GaxMn1-xN, AlxMn1-xN, and InxMn1-xN ternary systems: A first-principles study

被引：15
作者：
Boukra, A. [1 ,2 ]
Zaoui, A. [3 ]
Ferhat, M. [1 ]
机构：
[1] Univ Mostaganem, Fac Sci & Sci Ingenieur, Dept Phys, Mostaganem 27000, Algeria
[2] USTO, Dept Phys, Oran 31000, Algeria
[3] Univ Lille Nord France, Polytech Lille, LGCgE Lille1, EA 4515, F-59655 Villeneuve Dascq, France
来源：
JOURNAL OF APPLIED PHYSICS | 2010年 / 108卷 / 12期
关键词：
MOLECULAR-BEAM EPITAXY; III-V SEMICONDUCTORS; ROOM-TEMPERATURE; BAND-GAP; FERROMAGNETISM; GA1-XMNXN; GAAS; (GA; MN)AS; BEHAVIOR; FILMS;
D O I：
10.1063/1.3524049
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
We have performed first-principles calculations using the full-potential linearized augmented plane-wave method to investigate the magnetic properties of Al1-xMnxN, Ga1-xMnxN, and In1-xMnxN semiconductors, for x=0.25, 0.50, and 0.75 in their ordered zinc-blend ferromagnetic phase. For the structural properties, we found strong positive deviation from Vegard's law regarding the variation in the lattice parameter which is in direct contrast with conventional III-V alloys. In addition, we found that In1-xMnxN exhibits a half-metallic characteristic for all Mn composition. A total magnetic moment of 4 mu(B) was found for all In1-xMnxN compositions, and for half-metallic phases of Al1-xMnxN and Ga1-xMnxN, respectively. The Mn atom is the main source of the total magnetic moment in these alloys, while the contributions from Al, Ga, In, and N are negligible. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3524049]
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页数：7
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