High-pressure phases of Mn-N system

Crystal structures and mechanical properties of osmium diboride at high pressure

Structural evolution and phase transition mechanism of MoSe₂ under high pressure

Exploration of the novel structures and electronic properties for Nd³⁺ doped CaTiO₃

High pressure induced decomposition of antimony trisulfide

Computational exploration of gallium-doped neutral and anionic magnesium nanocluster materials: Ga₂Mg₂^q (n = 1–11; q=0, − 1) nanocluster’s properties based on DFT

Predicting MnB₆ monolayer with room temperature ferromagnetism and high magnetic anisotropy

2D high temperature ferromagnetic Co2Ti₂Sn₂ monolayer with tunable magnetic anisotropy and superior mechanical flexibility: A first-principles and Monte Carlo study

The effect of size, charge state and composition on the binding of propene to yttrium-doped gold clusters

Structural and electronic properties of nitrogen-terminated diamond (100) surfaces