Compositional dependence of the formation energies of substitutional and interstitial Mn in partially compensated (Ga,Mn)As

被引：8

作者：

Masek, J

Turek, I

Kudrnovsky, J

Máca, F

Drchal, V

机构：

[1] Acad Sci Czech Republ, Inst Phys, Prague 18221 8, Czech Republic

[2] Acad Sci Czech Republ, Inst Phys Mat, Brno 61662, Czech Republic

[3] Charles Univ, Fac Math & Phys, CR-12116 Prague, Czech Republic

来源：

ACTA PHYSICA POLONICA A | 2004年 / 105卷 / 06期

关键词：

D O I：

10.12693/APhysPolA.105.637

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We use the density-functional theory to calculate the total energy of mixed crystals (Ga,Mn)As with a small concentration of various donors. We find that the formation energy of Mn depends strongly on the partial concentrations of Mn in the substitutional and interstitial positions, and on the concentration of other dopants. The composition dependence of the formation energies represents an effective feedback mechanism, resulting in the self-compensation property of (Ga,Mn)As. We show that the partial concentrations of both substitutional and interstitial Mn increase proportionally to the total concentration of Mn.

引用

页码：637 / 644

页数：8

共 16 条

[1] Magnetic circular dichroism studies of carrier-induced ferromagnetism in (Ga1-xMnx)As [J].

Beschoten, B ;

Crowell, PA ;

Malajovich, I ;

Awschalom, DD ;

Matsukura, F ;

Shen, A ;

Ohno, H .

PHYSICAL REVIEW LETTERS, 1999, 83 (15) :3073-3076

[2] Spin interactions of interstitial Mn ions in ferromagnetic GaMnAs [J].

Blinowski, J ;

Kacman, P .

PHYSICAL REVIEW B, 2003, 67 (12) :4

[3] 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

[4] Free carrier-induced ferromagnetism in structures of diluted magnetic semiconductors [J].

Dietl, T ;

Haury, A ;

dAubigne, YM .

PHYSICAL REVIEW B, 1997, 55 (06) :R3347-R3350

[5] Self-compensation in manganese-doped ferromagnetic semiconductors [J].

Erwin, SC ;

Petukhov, AG .

PHYSICAL REVIEW LETTERS, 2002, 89 (22) :227201-227201

[6]

Kudrnovsky J., 1997, Electronic Structure of Disordered Alloys, Surfaces and Interfaces

[7] Electronic states in Ga1-xMnxAs:: Substitutional versus interstitial position of Mn -: art. no. 235209 [J].

Máca, F ;

Masek, J .

PHYSICAL REVIEW B, 2002, 65 (23) :1-6

[8] Ferromagnetism in Mn-doped GaAs due to substitutional-interstitial complexes [J].

Mahadevan, P ;

Zunger, A .

PHYSICAL REVIEW B, 2003, 68 (07)

[9] Interstitial Mn in (Ga,Mn)As:: Binding energy and exchange coupling -: art. no. 165212 [J].

Masek, J ;

Máca, F .

PHYSICAL REVIEW B, 2004, 69 (16) :165212-1

[10] Lattice constant in diluted magnetic semiconductors (Ga,Mn)As -: art. no. 153203 [J].

Masek, J ;

Kudrnovsky, J ;

Máca, F .

PHYSICAL REVIEW B, 2003, 67 (15)

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