Electron correlation effects on the magnetostructural transition and magnetocaloric effect in Gd{sub 5}Si{sub 2}Ge{sub 2}
- Materials and Engineering Physics Program, Ames Laboratory, Iowa State University, Ames, Iowa 50011-3020 (United States)
- Condensed Matter Physics Program, Ames Laboratory, Iowa State University, Ames, Iowa 50011-3020 (United States)
Electron correlation effects on the electronic structure of Gd{sub 5}Si{sub 2}Ge{sub 2} have been studied using the tight binding linear muffin-tin orbital method within the framework of the local spin density approximation with the Coulomb correlation parameter approach. The magnetostructural transition temperature (T{sub M}) and the magnetocaloric effect (isothermal magnetic entropy change, {delta}S{sub M}) have been calculated using this method by applying the scalar relativistic band theory and the nonlocal exchange correlation parametrization of the exchange correlation potential together with a magnetothermodynamic model. Both T{sub M} and {delta}S{sub M} are in good agreement with experimental values.
- OSTI ID:
- 20788057
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Vol. 73, Issue 14; Other Information: DOI: 10.1103/PhysRevB.73.144406; (c) 2006 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
SUPERCONDUCTIVITY AND SUPERFLUIDITY
APPROXIMATIONS
BAND THEORY
DENSITY
DENSITY FUNCTIONAL METHOD
ELECTRON CORRELATION
ELECTRONIC STRUCTURE
ELECTRONS
ENTROPY
EXCHANGE INTERACTIONS
GADOLINIUM ALLOYS
GERMANIUM ALLOYS
MUFFIN-TIN POTENTIAL
PHASE TRANSFORMATIONS
RELATIVISTIC RANGE
SCALARS
SILICON ALLOYS
SOLIDS
SPIN
TRANSITION TEMPERATURE