Probing the structural evolution, electronic and vibrational properties of magnesium clusters doped with sodium atom

Pressure-induced decomposition of cadmium iodide

Studies on the structural and electronic characteristics of alkaline‐earth metal Mg_n+1 and BaMg_n (n = 2–10) clusters and their anions

Prediction of a superhard high-pressure phase for CN: First-principles

Study on New High‐Pressure Phases and Electronic Properties of Iodine Chloride Employing Ab Initio Calculations

A New Superconductor of BeB₂C Under Atmospheric Pressure

High‐Temperature Structural Stability of Intercalated Cerium Superhydride into Graphene Sheets at Low Pressure

Photogalvanic effect in graphenelike BC₂P monolayer from first principles

Structure, Stability, and Electronic Properties of Hydrogenated Monolayer 2D Silicon Allotropes by First-Principles Calculation

Structure, stability, and mechanical properties of Nb₂B under high pressure