131 citations · 176 across the 4 of their papers we have counts for
6 papers
Structural Instability and Magnetism of Superconducting KCrAs
Guangzong Xing, Ling Shang, Yuhao Fu +4
We find a lattice instability in the superconductor KCrAs, corresponding to a distortion of the Cr metallic wires in the crystal structure. This distortion couples strongly…
Hydrogen-bond relaxation dynamics: Resolving mysteries of water ice
Yongli Huang, Xi Zhang, Chang Q Sun
We examined O:H-O bond relaxation under compression,heating,molecular undercoordination and claimed a universal resolution to the best-known mysteries of water ice such as ice foat…
Electronic fitness function for screening semiconductors as thermoelectric materials
Guangzong Xing, Jifeng Sun, Yuwei Li +3
We introduce a simple but efficient electronic fitness function (EFF) that describes the electronic aspect of the thermoelectric performance. This EFF finds materials that overcome…
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,…
N-Type Oxide Thermoelectrics Via Visual Search Strategies
Guangzong Xing, Jifeng Sun, Khuong P. Ong +3
We discuss and present search strategies for finding new thermoelectric compositions based on first principles electronic structure and transport calculations. We illustrate them b…
Magnetism in Na-filled Fe-based skutterudites
Guangzong Xing, Xiaofeng Fan, Weitao Zheng +3
The interplay of superconductivity and magnetism is a subject of ongoing interest, stimulated most recently by the discovery of Fe-based superconductivity and the recognition that…