CALCULATION OF MAGNETOOPTICAL PROPERTIES FOR 4F SYSTEMS - LSDA PLUS HUBBARD-U RESULTS

Authors
HARMON BN ANTROPOV VP LIECHTENSTEIN AI SOLOVYEV IV ANISIMOV VI
Citation
Bn. Harmon et al., CALCULATION OF MAGNETOOPTICAL PROPERTIES FOR 4F SYSTEMS - LSDA PLUS HUBBARD-U RESULTS, Journal of physics and chemistry of solids, 56(11), 1995, pp. 1521-1524
Citations number
24
Categorie Soggetti
Physics, Condensed Matter",Chemistry
Journal title
Journal of physics and chemistry of solids → ACNP
ISSN journal
00223697
Volume
56
Issue
11
Year of publication
1995
Pages
1521 - 1524
Database
ISI
SICI code
0022-3697(1995)56:11<1521:COMPF4>2.0.ZU;2-2
Abstract
The electronic structure of gadolinium metal and CeSb has been calcula ted using a density functional method which explicitly includes the Co ulomb parameter U for the 4f-electrons. The calculated density of stat es, total energies, Fermi surface, and magneto-optical properties are in better agreement with experiment than those obtained with the stand ard local density technique.