Magnetism in Cr-doped ZnS: density-functional theory studies

被引：27

作者：

Jia, Xingtao ^{[1
,2
]}

Qin, Minghui ^{[3
,4
]}

Yang, Wei ^{[5
]}

机构：

[1] Beijing Normal Univ, Dept Phys, Beijing 100875, Peoples R China

[2] China Univ Petr, Coll Chem & Chem Engn, Dongying 257061, Peoples R China

[3] Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Peoples R China

[4] Nanjing Univ, Dept Phys, Nanjing 210093, Peoples R China

[5] Shanghai Ocean Univ, Coll Informat, Shanghai 200090, Peoples R China

来源：

JOURNAL OF PHYSICS D-APPLIED PHYSICS | 2009年 / 42卷 / 23期

关键词：

HALF-METALLIC FERROMAGNETISM; ELECTRONIC-STRUCTURE; MATERIALS DESIGN; SEMICONDUCTOR; 1ST-PRINCIPLES; DEPENDENCE;

D O I：

10.1088/0022-3727/42/23/235001

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We investigated the magnetism and aggregation trends in cubic Zn1-xCrxS using density-functional theory calculations. We demonstrate that all studied configurations show ground state half-metallic ferromagnetism (HMF), and Cr impurities are energetically favourable for planar clustering into delta-doping structures. The single-layer delta-doping structures of Zn0.75Cr0.25S and Zn0.875Cr0.125S show ferromagnetic stabilization energies (Delta E-AF) of 0.551 eV and 0.561 eV per Cr-Cr pair, respectively. The half-layer delta-doping structure of Zn0.875Cr0.125S and the double-layer delta-doping structure of Zn0.75Cr0.25S show Delta E-AF of 0.394 eV and 0.166 eV per Cr-Cr pair, respectively. Furthermore, our studies indicate that the cubic ZnS/CrS heterostructure, one extreme situation of the delta-doping structure, also shows ground state HMF. The origin of HMF is discussed using a simple crystal field model. Finally, we anticipate the potential spintronics application of Zn1-xCrxS.

引用

页数：7

共 47 条

[1] Magnetic percolation in diluted magnetic semiconductors [J].

Bergqvist, L ;

Eriksson, O ;

Kudrnovsky, J ;

Drchal, V ;

Korzhavyi, P ;

Turek, I .

PHYSICAL REVIEW LETTERS, 2004, 93 (13) :137202-1

[2] LSDA+U versus LSDA:: Towards a better description of the magnetic nearest-neighbor exchange coupling in Co- and Mn-doped ZnO -: art. no. 134418 [J].

Chanier, T ;

Sargolzaei, M ;

Opahle, I ;

Hayn, R ;

Koepernik, K .

PHYSICAL REVIEW B, 2006, 73 (13)

[3] Dopant stability and strain states in Co and Mn-doped Ge (001) epitaxial films [J].

Collins, B. A. ;

Chu, Y. S. ;

He, L. ;

Zhong, Y. ;

Tsui, F. .

PHYSICAL REVIEW B, 2008, 77 (19)

[4] Zener model description of ferromagnetism in zinc-blende magnetic semiconductors [J].

Dietl, T ;

Ohno, H ;

Matsukura, F ;

Cibert, J ;

Ferrand, D .

SCIENCE, 2000, 287 (5455) :1019-1022

[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] Theory of ferromagnetism in planar heterostructures of (Mn,III)-V semiconductors -: art. no. 235323 [J].

Fernández-Rossier, J ;

Sham, LJ .

PHYSICAL REVIEW B, 2001, 64 (23)

[7] COMPENSATION OF P-TYPE DOPING IN ZNSE - THE ROLE OF IMPURITY-NATIVE DEFECT COMPLEXES [J].

GARCIA, A ;

NORTHRUP, JE .

PHYSICAL REVIEW LETTERS, 1995, 74 (07) :1131-1134

[8]

GOPAL P, PHYS REV B, V74

[9] Temperature dependence of transport properties in ZnS-based magnetic tunnel junctions [J].

Guth, M ;

Schmerber, G ;

Henry, Y ;

Dinia, A .

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2002, 240 (1-3) :152-155

[10] On the cross-over from half-metal to normal ferromagnet in NiMnSb [J].

Hordequin, C ;

Ristoiu, D ;

Ranno, L ;

Pierre, J .

EUROPEAN PHYSICAL JOURNAL B, 2000, 16 (02) :287-293

← 1 2 3 4 5 →