1. Computational Center for Property and Modification on NanomaterialsCollege of ScienceLiaoning Shihua University Fushun 113001 People's Republic of China
2. School of Mathematics and PhysicsBeijing Advanced Innovation Center for Materials Genome EngineeringBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface ScienceUniversity of Science and Technology Beijing Beijing 100083 People's Republic of China