Model Hamiltonian parameters for half-metallic ferromagnets NiMnSb and CrO2
Strongly Correlated Electrons
2007-05-23 v2 Materials Science
Abstract
Using the recently developed Nth-order muffin-tin-orbital (NMTO) based downfolding technique we revisit the electronic properties of half-metallic ferromagnets, the semi-Heusler NiMnSb and rutile CrO2. The NMTO Wannier orbitals for the Mn-d and Cr-t2g manifolds are constructed and the mechanism of chemical bonding is discussed. The effective hopping Hamiltonian parameters are calculated using a NMTO downfolded basis set. We propose model Hamiltonian parameters with possibly minimal basis sets for both half-metallic ferromagnetic alloys.
Cite
@article{arxiv.cond-mat/0603305,
title = {Model Hamiltonian parameters for half-metallic ferromagnets NiMnSb and CrO2},
author = {A. Yamasaki and L. Chioncel and A. I. Lichtenstein and O. K. Andersen},
journal= {arXiv preprint arXiv:cond-mat/0603305},
year = {2007}
}
Comments
12 pages, 10 figures, 2 tables