Magnetic states for V(001) bcc surface: An ab initio study.

Recent magneto-optical kerr effect and low energy electron diffraction experiments on V(001) surface probed the existence of surface magnetism. Following these experiments the authors performed an ab initio study for the magnetic states of V(001) surface using a plane wave self-consistent field code. The generalized gradient approximation is used to treat the exchange correlation potential. Structural optimization is considered for the systems. The results obtained from the study of V(001) bcc surface show metastable magnetic states with an energy difference, with respect to the ground state, less than 10 meV/atom. [ABSTRACT FROM AUTHOR]