共 59 条
Investigation of magnetic properties induced by group-V element in doped ZnO
被引:37
作者:

Lu, Ying-Bo
论文数: 0 引用数: 0
h-index: 0
机构:
Shandong Univ, State Key Lab Crystal Mat, Sch Phys, Jinan 250100, Peoples R China
Shandong Univ, Sch Space Sci & Phys, Weihai 264209, Peoples R China Shandong Univ, State Key Lab Crystal Mat, Sch Phys, Jinan 250100, Peoples R China

Dai, Ying
论文数: 0 引用数: 0
h-index: 0
机构:
Shandong Univ, State Key Lab Crystal Mat, Sch Phys, Jinan 250100, Peoples R China Shandong Univ, State Key Lab Crystal Mat, Sch Phys, Jinan 250100, Peoples R China

论文数: 引用数:
h-index:
机构:

Yu, Lin
论文数: 0 引用数: 0
h-index: 0
机构:
Shandong Univ, State Key Lab Crystal Mat, Sch Phys, Jinan 250100, Peoples R China Shandong Univ, State Key Lab Crystal Mat, Sch Phys, Jinan 250100, Peoples R China

Huang, Baibiao
论文数: 0 引用数: 0
h-index: 0
机构:
Shandong Univ, State Key Lab Crystal Mat, Sch Phys, Jinan 250100, Peoples R China Shandong Univ, State Key Lab Crystal Mat, Sch Phys, Jinan 250100, Peoples R China
机构:
[1] Shandong Univ, State Key Lab Crystal Mat, Sch Phys, Jinan 250100, Peoples R China
[2] Shandong Univ, Sch Space Sci & Phys, Weihai 264209, Peoples R China
基金:
美国国家科学基金会;
关键词:
TOTAL-ENERGY CALCULATIONS;
AUGMENTED-WAVE METHOD;
DENSITY FUNCTIONALS;
BASIS-SET;
OXIDE;
SEMICONDUCTORS;
FERROMAGNETISM;
ORIGIN;
D O I:
10.1039/c3cp44047h
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
For the potential applications in spintronics, we examine systematically the electronic properties of group-V elements (X) doped ZnO to investigate the magnetic properties induced by X based on density functional theory calculations. Our results indicates that X atoms doped in the form of a substitutional X atom at an O anion site (X-O) and at a Zn cation site combining with two Zn vacancies (X-Zn-2V(Zn) complex) under different circumstances can introduce magnetism. The magnetism comes from the p-p and p-d coupling interaction between the dopant X-p orbitals and the host O-2p and Zn-3d orbitals. The stability of the ferromagnetism (FM) phase induced by X-O defects decreases with the increase of dopant atomic number due to the lower electronegativity value, which can be interpreted by the phenomenological band-coupling model. The origin of the magnetism induced by X-Zn-2V(Zn) is similar to that of the Zn vacancy (V-Zn) in ZnO and comes from the O-2p orbitals dominantly. The FM stability introduced by X-Zn-2V(Zn) decreases with the order N < Sb < As < P, which is ascribed to the delocalization of the O-2p orbitals. The results mean that 3p/4p/5p dopants could also make ZnO materials into diluted magnetic semiconductors.
引用
收藏
页码:5208 / 5214
页数:7
相关论文
共 59 条
[1]
Band offsets at semiconductor-oxide interfaces from hybrid density-functional calculations
[J].
Alkauskas, Audrius
;
Broqvist, Peter
;
Devynck, Fabien
;
Pasquarello, Alfredo
.
PHYSICAL REVIEW LETTERS,
2008, 101 (10)

Alkauskas, Audrius
论文数: 0 引用数: 0
h-index: 0
机构:
Ecole Polytech Fed Lausanne, Inst Theoret Phys, CH-1015 Lausanne, Switzerland Ecole Polytech Fed Lausanne, Inst Theoret Phys, CH-1015 Lausanne, Switzerland

Broqvist, Peter
论文数: 0 引用数: 0
h-index: 0
机构: Ecole Polytech Fed Lausanne, Inst Theoret Phys, CH-1015 Lausanne, Switzerland

Devynck, Fabien
论文数: 0 引用数: 0
h-index: 0
机构: Ecole Polytech Fed Lausanne, Inst Theoret Phys, CH-1015 Lausanne, Switzerland

Pasquarello, Alfredo
论文数: 0 引用数: 0
h-index: 0
机构: Ecole Polytech Fed Lausanne, Inst Theoret Phys, CH-1015 Lausanne, Switzerland
[2]
Amphoteric phosphorus doping for stable p-type ZnO
[J].
Allenic, Arnold
;
Guo, Wei
;
Chen, Yanbin
;
Katz, Michael Brandon
;
Zhao, Guangyuan
;
Che, Yong
;
Hu, Zhendong
;
Liu, Bing
;
Zhang, Sheng Bai
;
Pan, Xiaoqing
.
ADVANCED MATERIALS,
2007, 19 (20)
:3333-+

Allenic, Arnold
论文数: 0 引用数: 0
h-index: 0
机构: Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA

Guo, Wei
论文数: 0 引用数: 0
h-index: 0
机构: Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA

Chen, Yanbin
论文数: 0 引用数: 0
h-index: 0
机构: Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA

Katz, Michael Brandon
论文数: 0 引用数: 0
h-index: 0
机构: Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA

Zhao, Guangyuan
论文数: 0 引用数: 0
h-index: 0
机构: Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA

Che, Yong
论文数: 0 引用数: 0
h-index: 0
机构: Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA

Hu, Zhendong
论文数: 0 引用数: 0
h-index: 0
机构: Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA

Liu, Bing
论文数: 0 引用数: 0
h-index: 0
机构: Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA

Zhang, Sheng Bai
论文数: 0 引用数: 0
h-index: 0
机构: Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA

Pan, Xiaoqing
论文数: 0 引用数: 0
h-index: 0
机构: Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA
[3]
PROJECTOR AUGMENTED-WAVE METHOD
[J].
BLOCHL, PE
.
PHYSICAL REVIEW B,
1994, 50 (24)
:17953-17979

BLOCHL, PE
论文数: 0 引用数: 0
h-index: 0
机构: IBM Research Division, Zurich Research Laboratory
[4]
Managing the supercell approximation for charged defects in semiconductors:: Finite-size scaling, charge correction factors, the band-gap problem, and the ab initio dielectric constant -: art. no. 035215
[J].
Castleton, CWM
;
Höglund, A
;
Mirbt, S
.
PHYSICAL REVIEW B,
2006, 73 (03)

Castleton, CWM
论文数: 0 引用数: 0
h-index: 0
机构: Royal Inst Technol, Mat Phys Mat & Semicond Phys Lab, SE-16440 Kista, Sweden

论文数: 引用数:
h-index:
机构:

论文数: 引用数:
h-index:
机构:
[5]
P-Type Nitrogen-Doped ZnO Nanoparticles Stable under Ambient Conditions
[J].
Chavillon, Benoit
;
Cario, Laurent
;
Renaud, Adele
;
Tessier, Franck
;
Chevire, Francois
;
Boujtita, Mohammed
;
Pellegrin, Yann
;
Blart, Errol
;
Smeigh, Amanda
;
Hammarstrom, Leif
;
Odobel, Fabrice
;
Jobic, Stephane
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
2012, 134 (01)
:464-470

Chavillon, Benoit
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Nantes, CNRS, Inst Mat Jean Rouxel IMN, UMR6502, F-44322 Nantes 3, France Univ Nantes, CNRS, Inst Mat Jean Rouxel IMN, UMR6502, F-44322 Nantes 3, France

Cario, Laurent
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Nantes, CNRS, Inst Mat Jean Rouxel IMN, UMR6502, F-44322 Nantes 3, France Univ Nantes, CNRS, Inst Mat Jean Rouxel IMN, UMR6502, F-44322 Nantes 3, France

Renaud, Adele
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Nantes, CNRS, Inst Mat Jean Rouxel IMN, UMR6502, F-44322 Nantes 3, France Univ Nantes, CNRS, Inst Mat Jean Rouxel IMN, UMR6502, F-44322 Nantes 3, France

Tessier, Franck
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Rennes 1, UMR CNRS Sci Chim Rennes 6226, Equipe Verres & Ceram, F-35042 Rennes, France Univ Nantes, CNRS, Inst Mat Jean Rouxel IMN, UMR6502, F-44322 Nantes 3, France

Chevire, Francois
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Rennes 1, UMR CNRS Sci Chim Rennes 6226, Equipe Verres & Ceram, F-35042 Rennes, France Univ Nantes, CNRS, Inst Mat Jean Rouxel IMN, UMR6502, F-44322 Nantes 3, France

论文数: 引用数:
h-index:
机构:

Pellegrin, Yann
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Nantes, CNRS, CEISAM, UMR6230, F-44322 Nantes 3, France Univ Nantes, CNRS, Inst Mat Jean Rouxel IMN, UMR6502, F-44322 Nantes 3, France

Blart, Errol
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Nantes, CNRS, CEISAM, UMR6230, F-44322 Nantes 3, France Univ Nantes, CNRS, Inst Mat Jean Rouxel IMN, UMR6502, F-44322 Nantes 3, France

Smeigh, Amanda
论文数: 0 引用数: 0
h-index: 0
机构:
Uppsala Univ, Dept Photochem & Mol Sci, S-75120 Uppsala, Sweden Univ Nantes, CNRS, Inst Mat Jean Rouxel IMN, UMR6502, F-44322 Nantes 3, France

Hammarstrom, Leif
论文数: 0 引用数: 0
h-index: 0
机构:
Uppsala Univ, Dept Photochem & Mol Sci, S-75120 Uppsala, Sweden Univ Nantes, CNRS, Inst Mat Jean Rouxel IMN, UMR6502, F-44322 Nantes 3, France

Odobel, Fabrice
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Nantes, CNRS, CEISAM, UMR6230, F-44322 Nantes 3, France Univ Nantes, CNRS, Inst Mat Jean Rouxel IMN, UMR6502, F-44322 Nantes 3, France

论文数: 引用数:
h-index:
机构:
[6]
Dilute magnetic oxides
[J].
Coey, J. M. D.
.
CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE,
2006, 10 (02)
:83-92

Coey, J. M. D.
论文数: 0 引用数: 0
h-index: 0
机构:
Trinity Coll Dublin, Sch Phys, Dublin 2, Ireland Trinity Coll Dublin, Sch Phys, Dublin 2, Ireland
[7]
Donor impurity band exchange in dilute ferromagnetic oxides
[J].
Coey, JMD
;
Venkatesan, M
;
Fitzgerald, CB
.
NATURE MATERIALS,
2005, 4 (02)
:173-179

Coey, JMD
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Dublin Trinity Coll, Dept Phys, Dublin 2, Ireland Univ Dublin Trinity Coll, Dept Phys, Dublin 2, Ireland

Venkatesan, M
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Dublin Trinity Coll, Dept Phys, Dublin 2, Ireland Univ Dublin Trinity Coll, Dept Phys, Dublin 2, Ireland

Fitzgerald, CB
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Dublin Trinity Coll, Dept Phys, Dublin 2, Ireland Univ Dublin Trinity Coll, Dept Phys, Dublin 2, Ireland
[8]
Phenomenological band structure model of magnetic coupling in semiconductors
[J].
Dalpian, Gustavo M.
;
Wei, Su-Huai
;
Gong, X. G.
;
da Silva, Antonio J. R.
;
Fazzio, A.
.
SOLID STATE COMMUNICATIONS,
2006, 138 (07)
:353-358

Dalpian, Gustavo M.
论文数: 0 引用数: 0
h-index: 0
机构: Natl Renewable Energy Lab, Basic Sci Ctr, Golden, CO 80401 USA

Wei, Su-Huai
论文数: 0 引用数: 0
h-index: 0
机构: Natl Renewable Energy Lab, Basic Sci Ctr, Golden, CO 80401 USA

Gong, X. G.
论文数: 0 引用数: 0
h-index: 0
机构: Natl Renewable Energy Lab, Basic Sci Ctr, Golden, CO 80401 USA

da Silva, Antonio J. R.
论文数: 0 引用数: 0
h-index: 0
机构: Natl Renewable Energy Lab, Basic Sci Ctr, Golden, CO 80401 USA

Fazzio, A.
论文数: 0 引用数: 0
h-index: 0
机构: Natl Renewable Energy Lab, Basic Sci Ctr, Golden, CO 80401 USA
[9]
Arsenic doped p-type zinc oxide films grown by radio frequency magnetron sputtering
[J].
Fan, J. C.
;
Zhu, C. Y.
;
Fung, S.
;
Zhong, Y. C.
;
Wong, K. S.
;
Xie, Z.
;
Brauer, G.
;
Anwand, W.
;
Skorupa, W.
;
To, C. K.
;
Yang, B.
;
Beling, C. D.
;
Ling, C. C.
.
JOURNAL OF APPLIED PHYSICS,
2009, 106 (07)

Fan, J. C.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China

Zhu, C. Y.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China

Fung, S.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China

Zhong, Y. C.
论文数: 0 引用数: 0
h-index: 0
机构:
Hong Kong Univ Sci & Technol, Dept Phys, Hong Kong, Hong Kong, Peoples R China Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China

Wong, K. S.
论文数: 0 引用数: 0
h-index: 0
机构:
Hong Kong Univ Sci & Technol, Dept Phys, Hong Kong, Hong Kong, Peoples R China Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China

Xie, Z.
论文数: 0 引用数: 0
h-index: 0
机构:
Hunan Univ, Coll Phys & Microelect Sci, Changsha 410082, Hunan, Peoples R China Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China

Brauer, G.
论文数: 0 引用数: 0
h-index: 0
机构:
Forschungszentrum Dresden Rossendorf, Inst Ionenstrahlphys & Mat Forsch, D-01314 Dresden, Germany Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China

Anwand, W.
论文数: 0 引用数: 0
h-index: 0
机构:
Forschungszentrum Dresden Rossendorf, Inst Ionenstrahlphys & Mat Forsch, D-01314 Dresden, Germany
Forschungszentrum Dresden Rossendorf, Inst Strahlenphys, D-01314 Dresden, Germany Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China

Skorupa, W.
论文数: 0 引用数: 0
h-index: 0
机构:
Forschungszentrum Dresden Rossendorf, Inst Ionenstrahlphys & Mat Forsch, D-01314 Dresden, Germany Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China

To, C. K.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China

Yang, B.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China

Beling, C. D.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China

Ling, C. C.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China
[10]
Sb-doping of ZnO: Phase segregation and its impact on p-type doping
[J].
Friedrich, F.
;
Sieber, I.
;
Klimm, C.
;
Klaus, M.
;
Genzel, Ch.
;
Nickel, N. H.
.
APPLIED PHYSICS LETTERS,
2011, 98 (13)

Friedrich, F.
论文数: 0 引用数: 0
h-index: 0
机构:
Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany

Sieber, I.
论文数: 0 引用数: 0
h-index: 0
机构:
Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany

Klimm, C.
论文数: 0 引用数: 0
h-index: 0
机构:
Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany

Klaus, M.
论文数: 0 引用数: 0
h-index: 0
机构:
Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany

Genzel, Ch.
论文数: 0 引用数: 0
h-index: 0
机构:
Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany

Nickel, N. H.
论文数: 0 引用数: 0
h-index: 0
机构:
Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany