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The electronic stru...
The electronic structure and crystal field of RPt3Si (R = Pr, Nd, Sm) compounds
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Divis, M. (författare)
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Peltierova-Vejpravova, J. (författare)
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- Rusz, Jan (författare)
- Uppsala universitet,Fysiska institutionen
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Michor, H. (författare)
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(creator_code:org_t)
- Elsevier BV, 2007
- 2007
- Engelska.
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Ingår i: Physica. B, Condensed matter. - : Elsevier BV. - 0921-4526 .- 1873-2135. ; 400:1-2, s. 114-118
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- First-principles calculations based on density-functional theory (DFT) were performed on RPt3Si (R = Pr, Nd, Sm) for the first time. The electronic density of states (DOS) and bonding properties were studied using relativistic full-potential APW plus local orbitals calculations. The crystal-field (CF) splitting was derived for NdPt3Si and SMPt3Si by fitting the temperature-dependent magnetic susceptibility. The starting estimate of the CF parameters for fitting procedure was obtained from first-principles calculations based on DFT.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Nyckelord
- RPt3Si intermetallic compounds
- band-structure calculations
- crystal field
- Physics
- Fysik
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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