Crystal and electronic structures of superhard B₂CN : An ab initio study

文章来源：Solid State Commun. 152, 71 (2012) 作者：Quan Li, Dan Zhou, Hui Wang, Wanjin Chen, Baojia W

Theoretical search for half-metallic material: YMnS₃

文章来源：Solid State Commun. 152, 288 (2012) 作者：Haiping Wu, Ruifeng Lu, Weishi Tan, Chuanyun Xiao,

Tetragonal high-pressure phase of InI predicted from first principles

文章来源：Physica B 407, 398 (2012) 作者：Meiguang Zhang, Haiyan Yan, Gangtai Zhang, Qun Wei

High-pressure structures of InBi predicted by particle swarm optimization algorithm

文章来源：Chinese Phys. B 21, 026102 (2012) 作者：Huan-Huan Liu, Yan-Hui Liu

The ground-state structure and physical properties of RuC: first-principles calculations

文章来源：Chinese Phys. B 21, 76103 (2012) 作者：Meiguang Zhang, Haiyan Yan, Gangtai Zhang and Hui

High pressure partially ionic phase of water ice

文章来源：Nature Commun. 2, 563 (2011) 作者：Yanchao Wang, Hanyu Liu, Jian Lv, Li Zhu, Hui Wang

Novel Superhard Carbon: C-Centered Orthorhombic C₈

文章来源：Phys. Rev. Lett. 107, 215502 (2011) 作者：Zhisheng Zhao, Bo Xu, Xiang-Feng Zhou, Li-Min Wang

Substitutional Alloy of Bi and Te at High Pressure

文章来源：Phys. Rev. Lett. 106, 145501 (2011) 作者：Li Zhu, Hui Wang, Yanchao Wang, Jian Lv, Yanmei Ma

Predicted novel high-pressure phases of lithium

文章来源：Phys. Rev. Lett. 106, 015503 (2011) 作者：Jian Lv, Yanchao Wang, Li Zhu, and Yanming Ma

Predicting Two-Dimensional Boron-Carbon Compounds by the Global Optimization Method

文章来源：J. Am. Chem. Soc. 133, 16285 (2011) 作者：Xinyu Luo, Jihui Yang, Hanyu Liu, Xiaojun Wu, Yanc