机译:GaAs的过渡相和热力学性质的第一性原理计算
Institute;
of;
Atomic;
and;
Molecular;
Physics;
Sichuan;
University;
Chengdu;
610065;
China;
International;
Centre;
for;
Materials;
Chinese;
Academy;
Sciences;
Shenyang;
110016;
第一原理计算; 转换相; 热力学特性; GaAs; 半导体物理;