Fermi-level effects on the electronic structure and magnetic couplings in (Ga,Mn)N

被引：30

作者：

Boguslawski, P ^{[1
]}

Bernholc, J

机构：

[1] Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland

[2] N Carolina State Univ, Ctr High Performance Simulat, Raleigh, NC 27695 USA

[3] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA

来源：

PHYSICAL REVIEW B | 2005年 / 72卷 / 11期

关键词：

D O I：

10.1103/PhysRevB.72.115208

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Electronic structure of Mn ions and the magnetic Mn-Mn coupling in (Ga,Mn)N are investigated within density functional theory. The properties of (Ga,Mn)N are found to critically depend on the position of the Fermi level, which alters the charge state of Mn ions and induces substantial lattice relaxation. The exchange splittings of Mn d levels decrease threefold with the decreasing Fermi level, with the magnetic couplings being similarly affected. The results are in excellent agreement with experiment for low Mn concentration and highlight the role of inhomogeneities at the high concentration limit.

引用

收藏

页数：5

相关论文

共 45 条

[1] Magneto-optical studies of s,p-d exchange interactions in GaN:Mn with room-temperature ferromagnetism [J].

Ando, K .

APPLIED PHYSICS LETTERS, 2003, 82 (01) :100-102

[2] Probing local order in (Ga,Mn)N alloys by X-ray absorption spectroscopy [J].

Bacewicz, R ;

Filipowicz, J ;

Podsiadlo, S ;

Szyszko, T ;

Kaminski, M .

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2003, 64 (9-10) :1469-1472

[3] ELECTRONIC-STRUCTURE AND TOTAL-ENERGY MIGRATION BARRIERS OF SILICON SELF-INTERSTITIALS [J].

BARYAM, Y ;

JOANNOPOULOS, JD .

PHYSICAL REVIEW B, 1984, 30 (04) :1844-1852

[4] 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

[5] Transmission electron microscopy study on ferromagnetic (Ga,Mn)N epitaxial films [J].

Chang, JY ;

Kim, GH ;

Lee, JM ;

Han, SH ;

Kim, HJ ;

Lee, WY ;

Ham, MH ;

Huh, KS ;

Myoung, JM .

JOURNAL OF APPLIED PHYSICS, 2003, 93 (10) :7858-7860

[6] Observation of spin-glass behavior in homogeneous (Ga,Mn)N layers grown by reactive molecular-beam epitaxy [J].

Dhar, S ;

Brandt, O ;

Trampert, A ;

Friedland, KJ ;

Sun, YJ ;

Ploog, KH .

PHYSICAL REVIEW B, 2003, 67 (16)

[7] 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

[8] Mn interstitial diffusion in (Ga,Mn)As [J].

Edmonds, KW ;

Boguslawski, P ;

Wang, KY ;

Campion, RP ;

Novikov, SN ;

Farley, NRS ;

Gallagher, BL ;

Foxon, CT ;

Sawicki, M ;

Dietl, T ;

Nardelli, MB ;

Bernholc, J .

PHYSICAL REVIEW LETTERS, 2004, 92 (03) :4

[9] Self-interaction effects in (Ga,Mn)As and (Ga,Mn)N [J].

Filippetti, A ;

Spaldin, NA ;

Sanvito, S .

CHEMICAL PHYSICS, 2005, 309 (01) :59-65

[10] Self-interaction-corrected pseudopotential scheme for magnetic and strongly-correlated systems [J].

Filippetti, A ;

Spaldin, NA .

PHYSICAL REVIEW B, 2003, 67 (12) :15

← 1 2 3 4 5 →