First-principles investigation on crystal structure and physical properties of HfB₄

High-pressure induced phase transition of FeS₂: Electronic, mechanical and thermoelectric properties

Insights into the structural, electronic and magnetic properties of Ni-doped gold clusters: Comparison with pure gold clusters

Pressure-induced electronic topological transitions in the chargedensity-wave material In₄Se₃

Evolution of atomic and electronic structures of TaP under high pressure

Prediction of stable ground-state and pressure-induced phase transition of molybdenum monosulfide

Prediction of two-dimensional BiSb with puckered structure

Exploration of the Structural, Electronic and Tunable Magnetic Properties of Cu₄M (M = Sc-Ni) Clusters

The Study on the Structure of Pure Iron Under A High Pressure of 100GPa

Structure and Electronic Properties of Neutral and Negatively Charged RhB_n Clusters (n = 3−10): A Density Functional Theory Study