TEMPERATURE-DEPENDENT ELECTRONIC-STRUCTURE OF GADOLINIUM

Autor(en): NOLTING, W
DAMBECK, T
BORSTEL, G
Stichwörter: BAND-STRUCTURE; BULK CURIE-TEMPERATURE; CONDUCTION-BAND; DENSITY-FUNCTIONAL THEORY; DYNAMICAL CORRECTIONS; FERROMAGNETIC SEMICONDUCTORS; Physics; Physics, Condensed Matter; QUASIPARTICLE STRUCTURE; RARE-EARTH-METALS; SPIN POLARIZATION; SURFACE MAGNETIZATION
Erscheinungsdatum: 1994
Herausgeber: SPRINGER
Journal: ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER
Volumen: 94
Ausgabe: 4
Startseite: 409
Seitenende: 421
Zusammenfassung: 
We investigate the electronic structure of the ferromagnetic 4f-metal Gadolinium by use of a many-body evaluation of a generalized model of magnetism, the one-particle part of which is derived from an ASW-LSDA bandstructure calculation. A striking temperature-dependence of the conduction band states is traced back to a 4f-(5d, 6s) interband exchange. The conduction electron polarization (0.63 mu(B) at T=0) decreases for T --> T(c) very similar to the 4f-magnetization. A red shift of the lower up-T-band edge of about 0.25 eV appears upon cooling from T=T(c) to T=0. - The quasiparticle band-structure exibits a remarkable non uniform magnetic behaviour at different positions in the Brillouin zone, and in particular for different subbands. Weakly correlated (''s-like'') dispersions show a `'Stoner-like'' T-dependence of the exchange splitting. On the other hand, stronger correlated (''d-like'') dispersions split below T(c) into four branches, two for each spin direction. Their T-dependence mainly concerns the spectral weights of the quasiparticle peaks and not so much the energetic positions. An exchange caused splitting remains even for T> T(c).
ISSN: 07223277
DOI: 10.1007/BF01317403

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