TY  - JOUR
AU  - Bergqvist, L.
AU  - Sato, K.
AU  - Katayama-Yoshida, H.
AU  - Dederichs, P.H.
TI  - Computational materials design for high-T(c) (Ga,Mn)As with Li codoping
JO  - Physical review / B
VL  - 83
IS  - 16
SN  - 1098-0121
CY  - College Park, Md.
PB  - APS
M1  - PreJuSER-19584
SP  - 165201
PY  - 2011
N1  - L.B. acknowledges financial support from the European Commission within the Marie Curie Actions under Contract No. PERG-GA-2008-239411. K.S. and H.K.-Y. acknowledge the financial support from the Grant-in-Aid for Scientific Research for young researchers and on Innovative Areas "Materials Design through Computics: Complex Correlation and Non-Equilibrium Dynamics," the Global COE Program "Core Research and Engineering of Advanced Materials-Interdisciplinary Education Center for Materials Science," and Strategic Japanese-German Cooperative Program "Computational design and evaluation of spintronics materials," JST.
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000289229600003
DO  - DOI:10.1103/PhysRevB.83.165201
UR  - https://juser.fz-juelich.de/record/19584
ER  -