Europhys. Lett.
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
Europhys. Lett., 69 (4), pp. 588-594 (2005)
DOI: 10.1209/epl/i2004-10380-5

Coulomb- U and magnetic-moment collapse in $\delta$- $\chem{Pu}$

A. B. Shick1, V. Drchal1 and L. Havela2

1  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

received 8 September 2004; accepted in final form 9 December 2004
published online 19 January 2005

The around-the-mean-field version of the LDA+U method is applied to investigate electron correlation effects in $\delta$- $\chem{Pu}$. It yields a non-magnetic ground state of $\delta$- $\chem{Pu}$, and provides a good agreement with experimental equilibrium volume, bulk modulus and explains important features of the photoelectron spectra.

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.

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