Magnetic and optical properties of Fe2VAl and Fe3Al
Description
Full-potential linearized augmented plane wave plus local orbital method (FPLAPW + lo) calculations were performed for Fe2VAl and Fe3Al in order to investigate magnetic and optical properties and to show the origin of various optical transitions. It was found that the lattice constant and spin magnetic moments with the GGA method differ more from the respective experimental values than those calculated with the LSDA method. Furthermore, our calculated lattice constant and spin magnetic moments with the LSDA method were in overall better agreement with experiment. Our predictions agreed well with recent experimental reflectivity spectra. Meanwhile, the spectral peaks at the transitions were analyzed from the imaginary part of the dielectric function
Additional details
Identifiers
- DOI
- 10.1016/j.physleta.2006.11.022;
- PII
- S0375-9601(06)01752-X;
Publishing Information
- Journal Title
- Physics Letters. A
- Journal Volume
- 363
- Journal Issue
- 4
- Journal Page Range
- p. 312-316
- ISSN
- 0375-9601
- CODEN
- PYLAAG
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 39013851
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- ALUMINIUM COMPOUNDS; DIELECTRIC MATERIALS; IRON COMPOUNDS; LATTICE PARAMETERS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; REFLECTIVITY; SPIN; VANADIUM COMPOUNDS; WAVE PROPAGATION
- Descriptors DEC
- ANGULAR MOMENTUM; MATERIALS; OPTICAL PROPERTIES; PARTICLE PROPERTIES; PHYSICAL PROPERTIES; SURFACE PROPERTIES; TRANSITION ELEMENT COMPOUNDS
Optional Information
- Copyright
- Copyright (c) 2006 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.