First-principles calculation of the electronic structure, chemical bonding, and thermodynamic properties of <em> β</em>-US<sub>2</sub>

First-principles calculation of the electronic structure, chemical bonding, and thermodynamic properties of β-US₂

Li Shi-Chang^a), Zheng Yuan-Lei^a), Ma Sheng-Gui^a), Gao Tao†^a), Ao Bing-Yun‡^b)

The calculated phonon dispersion curves by LO–TO splitting β -US₂. (a) phonon dispersion curves and (b) phonon TDOS and PPDOS.