Nonexistence of Ferromagnetism in V Monolayer on Nb(001) and Ta(001) Surfaces-A Precise First-principles Study

초록

We report the nonexistence of the ferromagnetism in the V monolayer on the Nb(001) and Ta(001) surfaces based on the result obtained by a precise all-electron full-potential linearized augmented plane wave(FlAPW) methoc [1]. The calculated total energies and the layer-projected density of states reveal that the paramagnetic state is more stable than the ferromagnetic state both for the V/Nb(001) and V/Ta(001) systems. 1. E. Wimmer, H. Krakauer, M. Weinert, and A. J. Freeman, Phys. Rev. B 24, 864 (1981); M. Weinert, E. Wimmer, and A. J. Freeman, Phys. Rev. B 26, 1629 (1982).