11 papers · 1 filter
Iron-rich Fe-O compounds with closest-packed layers at core pressures
Jin Liu, Yang Sun, Chaojia Lv +7
Oxygen solubility in solid iron is extremely low, even at high pressures and temperatures. Thus far, no Fe-O compounds between Fe and FeO endmembers have been reported experimental…
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…
Spatial decomposition of magnetic anisotropy in magnets: application for doped Fe16N2
Yang Sun, Yong-Xin Yao, Manh Cuong Nguyen +3
We propose a scheme of decomposition of the total relativistic energy in solids to intra- and interatomic contributions. The method is based on a variation of the speed of light fr…
Predicting Complex Relaxation Processes in Metallic Glass
Yang Sun, Si-Xu Peng, Qun Yang +5
Relaxation processes significantly influence the properties of glass materials. However, understanding their specific origins is difficult, even more challenging is to forecast the…
Theoretical prediction of a highly responsive material: Spin fluctuations and superconductivity in FeNiB2 system
Renhai Wang, Yang Sun, Vladimir Antropov +3
By analyzing Fe-Ni-B compositional diagram we predict an energetically and dynamically stable FeNiB2 compound. This system belongs to the class of highly responsive state of materi…