83 citations · 145 across the 3 of their papers we have counts for
6 papers
Unconventional iron-magnesium compounds at terapascal pressures
Yimei Fang, Yang Sun, Renhai Wang +5
Being a lithophile element at ambient pressure, magnesium is long believed to be immiscible with iron. A recent study by Gao et al. [1] showed that pressure turns magnesium into a…
Prediction of crystal structures and motifs in the Fe-Mg-O system at Earth's core pressures
Renhai Wang, Yang Sun, Renata M. Wentzcovitch +6
Fe, Mg, and O are among the most abundant elements in terrestrial planets. While the behavior of the Fe-O, Mg-O, and Fe-Mg binary systems under pressure have been investigated, the…
Significant Second-Harmonic Generation and Bulk Photovoltaic Effect in Trigonal Selenium and Tellurium Chains
Meijuan Cheng, Xiaohong Shi, Shunqing Wu +1
One-dimensional selenium and tellurium crystalize in helical chainlike structures and thus exhibit fascinating properties. By performing first-principles calculations, we have rese…
Large Second-Harmonic Generation and Linear Electro-Optic Effect in Trigonal Selenium and Tellurium
Meijuan Cheng, Shunqing Wu, Zi-Zhong Zhu +1
Trigonal selenium and tellurium crystalize in helical chain-like structures and thus possess interesting properties such as current-induced spin polarization, gyrotropic effects an…
Large magneto-optical effects and magnetic anisotropy energy in two-dimensional CrGeTe
Yimei Fang, Shunqing Wu, Zi-Zhong Zhu +1
By performing systematic density functional calculations, here we study two relativity-induced properties of atomically thin ferromagnetic (FM) CrGeTe fil…
Phase transitions in MgSiO3 post-perovskite in super-Earth mantles
Koichiro Umemoto, Renata M. Wentzcovitch, Shunqing Wu +3
The highest pressure form of the major Earth-forming mantle silicate is MgSiO3 post-perovskite (PPv). Understanding the fate of PPv at TPa pressures is the first step for understan…