Volume 69, Number 4, February 2005
|Page(s)||588 - 594|
|Section||Condensed matter: electronic structure, electrical, magnetic, and optical properties|
|Published online||19 January 2005|
Coulomb-U and magnetic-moment collapse in δ-
Institute of Physics, ASCR - Prague, Czech Republic
2 Charles University, Faculty of Mathematics and Physics Department of Electronic Structures - Ke Karlovu 5, 121 16 Prague 2, Czech Republic
Accepted: 9 December 2004
The around-the-mean-field version of the LDA+U method is applied to investigate electron correlation effects in δ-. It yields a non-magnetic ground state of δ-, and provides a good agreement with experimental equilibrium volume, bulk modulus and explains important features of the photoelectron spectra.
PACS: 71.20.Gj – Electronic structure of bulk materials: Other metals and alloys / 71.27.+a – Strongly correlated electron systems; heavy fermions / 79.60.-i – Photoemission and photoelectron spectra
© EDP Sciences, 2005
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