Computational materials design for high-Tc (Ga, Mn)As with Li codoping

被引：17

作者：

Bergqvist, L. ^{[1
]}

Sato, K. ^{[2
]}

Katayama-Yoshida, H. ^{[2
]}

Dederichs, P. H. ^{[3
]}

机构：

[1] KTH Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden

[2] Osaka Univ, Grad Sch Engn Sci, Osaka 5608531, Japan

[3] Forschungszentrum Julich, Peter Grunberg Inst, DE-52425 Julich, Germany

来源：

PHYSICAL REVIEW B | 2011年 / 83卷 / 16期

关键词：

MAGNETIC SEMICONDUCTORS;

D O I：

10.1103/PhysRevB.83.165201

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Based on first-principles calculations and kinetic Monte Carlo simulations, we design a realistic and practical codoping technique for increasing the concentration of Mn atoms in GaAs and realizing high Curie temperatures in (Ga, Mn) As. We found that using codoping of Li interstitial atoms during the crystal growth has two great advantages. First, due to lower formation energy of Li interstitials compared to Mn interstitials, Li prevents formation of unwanted Mn interstitials. Second, Li interstitials can be removed by using post-growth annealing at low temperatures. This codoping method offers a general strategy to go far beyond the solubility limit and it should be applicable also to other diluted magnetic semiconductor systems.

引用

页数：6

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