0133436 - FZU-D 20010288 RIV US eng J - Journal Article
Mohn, P. - Persson, C. - Blaha, P. - Schwarz, K. - Novák, Pavel - Eschrig, H.
Correlation induced paramagnetic ground state in FeAl.
Physical Review Letters. Roč. 87, č. 19 (2001), s. 196401-1-196401-4. ISSN 0031-9007. E-ISSN 1079-7114
Institutional research plan: CEZ:AV0Z1010914
Keywords : FeAl * paramagnetic ground state
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 6.668, year: 2001

Experimentally the intermetallic compound FeAl is known to be nonmagnetic, whereas conventional density functional theory calculations yields a ferromagnetic ground state. We show that a correlation correaction within the LDA + U scheme yields a nonmagnetic ground state.
Permanent Link: http://hdl.handle.net/11104/0031401