Prediction of staggered stacking 2D BeP semiconductor with unique anisotropic electronic properties

Structural prediction for zirconium boride monolayer

The ground-state structure, optical-absorption and photoelectron spectrum of silver clusters

A first-principles study of novel cubic AlN phases

Theoretical study on structural, mechanical and electronic properties of ternary mononitride Ti_0.5W_0.5N from first-principles calculations

Predicted high-temperature superconductivity in cerium hydrides at high pressures

Rediscover δ₅ boron sheet: Interaction with Ni substrate and MoS₂ monolayer

First-principles studies of superhard BC₈N structures

Electronic structure and superconductivity in hexagonal Li₃B₂ and Li₂B₂H phases under pressure

Novel high pressure structures and mechanical properties of rhenium diboride