Key Laboratory of Computational Physical Sciences(Ministry of Education);
Institute of Computational Physical Sciences;
State Key Laboratory of Surface Physics;
Department of Physics;
Fudan University;
Shanghai 200433;
China;
Shanghai Qi Zhi Institute;
Shanghai 200030;
China;
Beijing Computational Science Research Center;
Beijing 100193;
China;
Department of Physics;
Beijing Normal University;
Beijing 100193;
China;
Collaborative Innovation Center of Advanced Microstructures;
Nanjing 210093;
China;
first-principles calculation; density functional theory; two-dimensional materials; magnetic phase transition;