Published May 1, 2000
| Version v1
Journal article
First-principles calculation of the electronic structure of yttrium iron garnet (Y3Fe5O12)
Creators
- 1. Department of Physics, University of Missouri-Kansas City, Kansas City, Missouri 64110 (United States)
Description
The electronic structure of Y3Fe5O12 (YIG) crystal was calculated using the spin-polarized orthogonalized linear combination of atomic orbitals method in the local spin-density approximation. It is shown that YIG has a ferrimagnetic ordering with Fe spin magnetic moments of -0.62μB and +1.56μB at the octahedral 16(a) site and the tetrahedral 24(d) site, respectively. The origin of ferrimagnetism in the two Fe sublattices can be traced to the different ordering of the eg and t2g levels for the spin-up and spin-down electrons. (c) 2000 American Institute of Physics
Additional details
Publishing Information
- Journal Title
- Journal of Applied Physics
- Journal Volume
- 87
- Journal Issue
- 9
- Journal Page Range
- p. 4867-4869
- ISSN
- 0021-8979
- CODEN
- JAPIAU
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 32059892
- Subject category
- S36: MATERIALS SCIENCE;
- Resource subtype / Literary indicator
- Numerical Data
- Descriptors DEI
- ELECTRONIC STRUCTURE; FERRIMAGNETIC MATERIALS; GARNETS; IRON COMPOUNDS; MAGNETIC MOMENTS; SPIN; THEORETICAL DATA; YTTRIUM COMPOUNDS
- Descriptors DEC
- ANGULAR MOMENTUM; DATA; INFORMATION; MAGNETIC MATERIALS; MATERIALS; MINERALS; NUMERICAL DATA; OXYGEN COMPOUNDS; PARTICLE PROPERTIES; SILICATE MINERALS; SILICATES; SILICON COMPOUNDS; TRANSITION ELEMENT COMPOUNDS
- Proposed descriptors and Free-text terms
- ab initio calculations; LCAO calculations; density functional theory; electronic density of states