107 citations · 141 across the 5 of their papers we have counts for
5 papers
High-throughput screening of strong electron-phonon couplings in ternary metal diborides
Renhai Wang, Yang Sun, Feng Zhang +7
We perform a high-throughput screening on phonon-mediated superconductivity in ternary metal diboride structure with alkali, alkaline earth, and transition metals. We find 17 groun…
Synthesis of ultra-incompressible sp3-hybridized carbon nitride
Elissaios Stavrou, Sergey Lobanov, Huafeng Dong +4
Search of materials with C-N composition hold a great promise in creating materials which would rival diamond in hardness due to the very strong and relatively low-ionic C-N bond.…
Prediction of a Stable Post-Post-Perovskite Structure from First Principles
Changsong Xu, Bin Xu, Yurong Yang +6
A novel stable crystallographic structure is discovered in a variety of ABO3, ABF3 and A2O3 compounds (including materials of geological relevance, prototypes of multiferroics, exh…
The Phase Diagram and Hardness of Carbon Nitrides
Huafeng Dong, Artem R. Oganov, Qiang Zhu +1
Novel superhard materials, especially those with superior thermal and chemical stability, are needed to replace diamond. Carbon nitrides (C-N), which are likely to possess these ch…
Tuning polarization and elasticity properties by uniaxial stress in BiFeO3
Huafeng Dong, Jingbo Li, Zhigang Wu
The changes of polarizational, elastic and structural properties of mutiferroic BiFeO3 under [111] direction uniaxial stress are calculated using density functional theory within t…