Počet záznamů: 1
Importance of full Coulomb interactions for understanding the electronic structure of δ-Pu
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SYSNO ASEP 0355447 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Importance of full Coulomb interactions for understanding the electronic structure of δ-Pu Tvůrce(i) 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)Zdroj.dok. Physical Review. B - ISSN 1098-0121
Roč. 82, č. 8 (2010), 085117/1-085117/5Poč.str. 5 s. Jazyk dok. eng - angličtina Země vyd. US - Spojené státy americké Klíč. slova strong electron correlations Vědní obor RIV BM - Fyzika pevných látek a magnetismus CEP GC202/07/J047 GA ČR - Grantová agentura ČR CEZ AV0Z10100520 - FZU-D (2005-2011) UT WOS 000281065100003 DOI 10.1103/PhysRevB.82.085117 Anotace 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. Pracoviště Fyzikální ústav Kontakt Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Rok sběru 2011
Počet záznamů: 1