Publications by authors named "Wu-Qin Zhang"
Article Synopsis
- This study investigates the structural, electronic, and magnetic properties of (FeC) clusters with sizes ranging from n=1 to 8 using advanced computational methods, specifically CALYPSO and density functional theory.
- The researchers apply the PBE functional and a specific basis set to determine the most stable configurations of the clusters and analyze their relative stability through various calculations, like binding energies and HOMO-LUMO gaps.
- Additionally, the study explores the origins of magnetic properties and evaluates the effects of doping (FeC) clusters with 3d transition metals (V, Cr, Mn, Co) on their structures and properties.
