Theoretical investigation on vanadium dinitrides from first-principles calculations

Systematic Theoretical Study on Structural, Stability, Electronic, and Spectral Properties of Si_{<2/sub>Mgn^Q (Q = 0, ±1; n = 1–11) Clusters of Silicon-Magnesium Sensor Material}

Effects of different phases, compositional change, and doping on ductility improvement of NbAl₃ phases

Exploration of crystal structure and the origin of unexpected intrinsic ductility of χCo₇Ta₂

Phase diagram and bonding states of Ir-P binary compounds at high pressures

New stable structures of HeN₃ predicted using first-principles calculations

Theoretical investigation on two novel high-pressure orthorhombic phases of superhard C₃N₂

Oxysulfide Li₂BeSO: A potential new material for solid electrolyte predicted from first principles

High Pressure Driven Isostructural Electronic Phase Separation in 2D BiOI

Micromechanism study on electronic and magnetic properties of silicene regulated by oxygen