Nitrogen-rich Ce-N compounds under high pressure

First-principles study of multifunctional Mn₂B₃ materials with high hardness and ferromagnetism

Reverse charge transfer and decomposition in Ca-Te compounds under high pressure

Carrier doping modulates the magnetoelectronic and magnetic anisotropic properties of two-dimensional MSi₂N₄ (M = Cr, Mn, Fe, and Co) monolayers

Prediction of a two-dimensional high Curie temperature Weyl nodal line kagome semimetal

Breaking the Hoff/Le Bel rule by an electron-compensation strategy: the global energy minimum of NGa₄S₄+

En route to superhard and 1D conductive carbon allotropes via unusual sp 2-sp 3 bonding configuration

A new superior electronic properties Si allotrope for power electronic device applications

The geometry, electronic and magnetic properties of Zr_nNi (n=2-14) clusters: A first-principles jointed particle-swarm-optimization investigation

Nucleation Mechanism of h-BN on the Au(111) Surface