Electronic structure and Fermi surface of
- 15 June 2000
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 61 (24) , 16582-16588
- https://doi.org/10.1103/physrevb.61.16582
Abstract
We report the results of an all electron self-consistent calculation of the electronic structure of in the local spin-density approximation, employing an extended version of the linear combination of Gaussian orbitals method. is found to be a half-metallic ferromagnet in agreement with previous calculations and recent experiments. The predicted Fermi surface is described in detail.
Keywords
This publication has 13 references indexed in Scilit:
- Transport, optical, and electronic properties of the half-metalPhysical Review B, 1999
- Production and magnetotransport properties of CrO2 filmsJournal of Applied Physics, 1997
- Production of by chemical reaction of in excited states with gasPhysical Review A, 1997
- Chemical bonding in rutile-type compoundsInorganic Chemistry, 1992
- Cr—A New Half-Metallic Ferromagnet?Physical Review Letters, 1987
- CrO2predicted as a half-metallic ferromagnetJournal of Physics F: Metal Physics, 1986
- Electronic structure and Fermi surface of calciumPhysical Review B, 1985
- New Class of Materials: Half-Metallic FerromagnetsPhysical Review Letters, 1983
- BNDPKG. A package of programs for the calculation of electronic energy bands by the LCGO methodComputer Physics Communications, 1978
- Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row AtomsThe Journal of Chemical Physics, 1970