781 citations · 1.7k across the 18 of their papers we have counts for
18 papers
Helium Incorporation Stabilized Direct-gap Silicides
Shicong Ding, Jingming Shi, Jiahao Xie +8
The search of direct-gap Si-based semiconductors is of great interest due to the potential application in many technologically relevant fields. This work examines the incorporation…
Construction of crystal structure prototype database: methods and applications
Chuanxun Su, Jian Lv, Quan Li +4
Crystal structure prototype data have become a useful source of information for materials discovery in the fields of crystallography, chemistry, physics, and materials science. Thi…
Sn(II)-containing phosphates as optoelectronic materials
Qiaoling Xu, Yuwei Li, Lijun Zhang +3
We theoretically investigate Sn(II) phosphates as optoelectronic materials using first principles calculations. We focus on known prototype materials SnPO (n=2, 3,…
Design of ternary alkaline-earth metal Sn(II) oxides with potential good p-type conductivity
Yuwei Li, David J. Singh, Mao-Hua Du +4
Oxides with good p-type conductivity have been long sought after to achieve high performance all-oxide optoelectronic devices. Divalent Sn(II) based oxides are promising candidates…
Intrinsic ultralow lattice thermal conductivity of the unfilled skutterudite FeSb
Yuhao Fu, David J. Singh, Wu Li +1
It has been generally accepted that unfilled skutterudites process high lattice thermal conductivity () that can be efficiently reduced upon filling. Here by using first pri…
Inverse Design of Inorganic Electrides
Yunwei Zhang, Hui Wang, Yanchao Wang +2
Electrides are ionic solids that consist of cationic frameworks and anionic electrons trapped in the voids of lattices. Organic electrides exist in a large abundance, but the therm…