Ab initio calculations of exchange interactions, Magnetic and optical properties of (Cu,TM)A1O2 (TM: Ti, V, Cr, Mn and Fe,): LDA and SIC approximation

被引：4
|
作者：
Laghrissi, Ayoub [1 ]
Salmani, El Mehdi [1 ]
Dehmani, Mustapha [1 ]
Ez-Zahraouy, Hamid [1 ]
Benyoussef, Abdelilah [2 ]
机构：
[1] Univ Mohammed V Rabat, Fac Sci, Dept Phys, LMPHE URAC 12, Rabat, Morocco
[2] MASciR, Inst Nanomat & Nanotechnol, Rabat, Morocco
来源：
OPTIK | 2016年 / 127卷 / 17期
关键词：
A1O(2); Exchange interactions; Electronic structure; Semiconductors; Dilute magnetic; LDA and SIC approximation; FERROMAGNETISM; NI;
D O I：
10.1016/j.ijleo.2016.05.024
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
In this paper we will use the first-principles calculations to study the electronic structure, magnetic and optical properties of (Cu,TM)A1O(2) (TM: Ti, V, Cr, Mn and Fe) based dilute magnetic semiconductors (DMS), and we will evaluate The energy difference between the ferromagnetic and disorder local moment states. Also, the ferromagnetic stability based on the charge state of magnetic impurities is confirmed by the exchange interactions and the optical absorption spectra obtained by Ab-initio calculations. We prove that when TM introduce simultaneously magnetic moment and intrinsic carriers in (Cu,TM)A1O(2) the ferromagnetic state will be stable. (C) 2016 Elsevier GmbH. All rights reserved.
引用
收藏
页码：6991 / 6996
页数：6
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