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Importance of full Coulomb interactions for understanding the electronic structure of δ-Pu
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SYSNO ASEP 0355447 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Importance of full Coulomb interactions for understanding the electronic structure of δ-Pu Author(s) Gorelov, E. (DE)
Kolorenč, Jindřich (FZU-D) RID, ORCID, SAI
Wehling, T. (DE)
Hafermann, H. (DE)
Shick, Alexander (FZU-D) RID, ORCID
Rubtsov, A. N. (RU)
Landa, A. (US)
McMahan, A. K. (US)
Anisimov, V.I. (RU)
Katsnelson, M.I. (NL)
Lichtenstein, A.I. (DE)Source Title Physical Review. B - ISSN 1098-0121
Roč. 82, č. 8 (2010), 085117/1-085117/5Number of pages 5 s. Language eng - English Country US - United States Keywords strong electron correlations Subject RIV BM - Solid Matter Physics ; Magnetism R&D Projects GC202/07/J047 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z10100520 - FZU-D (2005-2011) UT WOS 000281065100003 DOI 10.1103/PhysRevB.82.085117 Annotation Understanding the electronic structure of materials containing elements from the end of the periodic table represents a challenge due to a complex interplay of a number of physical phenomena occurring in these systems. In the plutonium metal, a fraction of the valence electrons is at the turning point between joining the conduction cloud, which occupies the whole crystal, and staying bound to a particular atom. This delicate boundary can be probed by photoemission experiments. Here we employ a very accurate computational method—the quantum Monte Carlo simulations—to describe the electronic states in the material achieving previously inaccessible resolution. We show that in order to successfully analyze the experimental photoemission spectra, it is essential to include the complete form of the electron-electron interaction into the Schrödinger equation, otherwise the spectral features near the Fermi level are not correctly reproduced. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2011
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