d0 Ferromagnetism in oxygen-doped CuCl: First principles study

被引：11

作者：

Adli, W. ^{[1
]}

Ferhat, M. ^{[1
]}

机构：

[1] Univ Sci & Technol Oran, LPMF, USTO MB, Dept Genie Phys, Oran, Algeria

来源：

SOLID STATE COMMUNICATIONS | 2014年 / 189卷

关键词：

CuCl doped oxygen; Density functional theory; Electronic band structure; Magnetic properties;

D O I：

10.1016/j.ssc.2014.03.013

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Based on our first principles all electron and pseudopotential calculations, CuCl doped by a nonmagnetic d(0) oxygen element is predicted to be ferromagnetic. O-doped (3%) CuCl shows half metallic ferromagnetism with a net total magnetic moment of 1.0 mu B. Furthermore the unusual d(0) ferromagnetism in O-doped CuCl can be explained in terms of 0(2p)-Cu(3d) like hybridization mechanism. These results suggest that 0 doped CuCl may be a promising half-metallic material free from magnetic precipitate and may find application in the field of spintronics. (C) 2014 Published by Elsevier Ltd.

引用

页码：68 / 71

页数：4

共 18 条

[1]

Blaha P., 2001, CALCULATING CRYST PR, V60

[2] First principles and Monte Carlo study of Mn-doped CuCl/CuBr as room-temperature ferromagnetism materials [J].

Chen, Zhanghui ;

Li, Jingbo ;

Li, Shu-Shen .

JOURNAL OF APPLIED PHYSICS, 2012, 111 (06)

[3] Electron doping and magnetic moment formation in N- and C-doped MgO [J].

Droghetti, A. ;

Sanvito, S. .

APPLIED PHYSICS LETTERS, 2009, 94 (25)

[4] Magnetizing oxides by substituting nitrogen for oxygen [J].

Elfimov, I. S. ;

Rusydi, A. ;

Csiszar, S. I. ;

Hu, Z. ;

Hsieh, H. H. ;

Lin, H. -J. ;

Chen, C. T. ;

Liang, R. ;

Sawatzky, G. A. .

PHYSICAL REVIEW LETTERS, 2007, 98 (13)

[5] Half-metallic ferromagnetism in C-doped ZnS: Density functional calculations [J].

Fan, S. W. ;

Yao, K. L. ;

Liu, Z. L. .

APPLIED PHYSICS LETTERS, 2009, 94 (15)

[6] Hidden ferromagnetic secondary phases in cobalt-doped ZnO epitaxial thin films [J].

Kaspar, T. C. ;

Droubay, T. ;

Heald, S. M. ;

Engelhard, M. H. ;

Nachimuthu, P. ;

Chambers, S. A. .

PHYSICAL REVIEW B, 2008, 77 (20)

[7] SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS [J].

CHADI, DJ .

PHYSICAL REVIEW B, 1977, 16 (04) :1746-1747

[8] (Ga,Mn)As: A new diluted magnetic semiconductor based on GaAs [J].

Ohno, H ;

Shen, A ;

Matsukura, F ;

Oiwa, A ;

Endo, A ;

Katsumoto, S ;

Iye, Y .

APPLIED PHYSICS LETTERS, 1996, 69 (03) :363-365

[9] Making nonmagnetic semiconductors ferromagnetic [J].

Ohno, H .

SCIENCE, 1998, 281 (5379) :951-956

[10] Magnetic properties of carbon doped CdS: A first-principles and Monte Carlo study [J].

Pan, Hui ;

Feng, Yuan Ping ;

Wu, Qin Yun ;

Huang, Zhi Gao ;

Lin, Jianyi .

PHYSICAL REVIEW B, 2008, 77 (12)

← 1 2 →