Coexistence of Superconductivity and Superhardness in Beryllium Hexaboride Driven by Inherent Multicenter Bonding

Predicting a new Phase (T

Carbon phosphide monolayers with superior carrier mobility

Relative edge energy in the stability of transition metal nanoclusters of different motifs

Mn₂C Monolayer: A 2D Antiferromagnetic Metal with High Néel Temperature and Large Spin-Orbit Coupling

New structures of bilayer germanium nanosheets predicted by a particle swarm optimization method

Silicon Framework-based Lithium Silicides at High Pressures

Structural Evolutions and Crystal Field Characterizations of Tm-Doped YAlO₃: New Theoretical Insights

Superhard superstrong carbon clathrate

Insights into the geometries, electronic and magnetic properties of neutral and charged palladium clusters