Total energy calculation of the magnetocrystalline anisotropy energy in the ferromagnetic 3{ital d} metals
Journal Article
·
· Physical Review Letters
- Condensed Matter Theory Group, Department of Physics, University of Uppsala, P.O. Box 530, S-75121, Uppsala (Sweden)
We demonstrate that total energy calculations based upon only the local density approximation of density functional theory in combination with an orbital polarization correction can be used to derive the magnetocrystalline anisotropy energy (MAE) for the ferromagnetic metals, bcc Fe, hcp Co, fcc Co, and fcc Ni. In the case of bcc Fe, hcp Co, and fcc Co the calculations reproduce the experimental easy axis as well as the size of the MAE. However, for fcc Ni we obtain the wrong easy axis.
- OSTI ID:
- 118590
- Journal Information:
- Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 15 Vol. 75; ISSN 0031-9007; ISSN PRLTAO
- Country of Publication:
- United States
- Language:
- English
Similar Records
Density functional theory calculations of magnetocrystalline anisotropy energies for (Fe1-xCox)2B
Magnetic anisotropy of metal functionalized phthalocyanine 2D networks
Preparation and characterization of Co single-crystal thin films with hcp, fcc and bcc structures
Journal Article
·
Sun Jun 14 20:00:00 EDT 2015
· Journal of Physics. Condensed Matter
·
OSTI ID:1245713
Magnetic anisotropy of metal functionalized phthalocyanine 2D networks
Journal Article
·
Wed Jun 15 00:00:00 EDT 2016
· Journal of Solid State Chemistry
·
OSTI ID:22584102
Preparation and characterization of Co single-crystal thin films with hcp, fcc and bcc structures
Journal Article
·
Fri Apr 01 00:00:00 EDT 2011
· Journal of Applied Physics
·
OSTI ID:21560119