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Density functional theory of crystal field quasiparticle excitations and the ab initio calculation of spin Hamiltonian parameters
Uppsala University.
Uppsala University.
Uppsala University.
Uppsala University.
1997 (English)In: PHYSICAL REVIEW LETTERS, ISSN 0031-9007, Vol. 79, no 13, 2546-2549 p.Article in journal (Other scientific) Published
Abstract [en]

We show, by carefully examining the change of total energy in constrained variational calculations using the local spin density approximation, that crystal field excitations in normal rare earths are quasiparticles composed of a 4f excitation plus its ass

Place, publisher, year, edition, pages
AMER INST PHYSICS , 1997. Vol. 79, no 13, 2546-2549 p.
Keyword [en]
TRANSITION-METAL INTERMETALLICS; TIN-ORBITAL CALCULATIONS; MAGNETIC-PROPERTIES; MAGNETOCRYSTALLINE ANISOTROPY; CONDUCTION ELECTRONS; COULOMBIC PART; BRILLOUIN-ZONE; SPECIAL POINTS; EARTH; EXCHANGE
Identifiers
URN: urn:nbn:se:uu:diva-72579OAI: oai:DiVA.org:uu-72579DiVA: diva2:100490
Note
Addresses: Brooks MSS, COMMISS EUROPEAN COMMUNITIES, JOINT RES CTR, INST TRANSURANIUM ELEMENTS, POSTFACH 2340, D-76125 KARLSRUHE, GERMANY. UNIV UPPSALA, INST PHYS, CONDENSED MATTER THEORY GRP, S-75121 UPPSALA, SWEDEN. LOS ALAMOS NATL LAB, CTR MAT SCI, LOSAvailable from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-15

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