Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/102312
Title: Valence fluctuations and empty-state resonance for Fe adatom on a surface
Authors: Iskakov, S. N.
Mazurenko, V. V.
Valentyuk, M. V.
Lichtenstein, A. I.
Issue Date: 2015
Publisher: American Physical Society
Citation: Valence fluctuations and empty-state resonance for Fe adatom on a surface / S. N. Iskakov, V. V. Mazurenko, M. V. Valentyuk, et al. — DOI 10.1103/PhysRevB.92.245135 // Physical Review B - Condensed Matter and Materials Physics. — 2015. — Vol. 92. — Iss. 24. — 245135.
Abstract: We report on the formation of the high-energy empty-state resonance in the electronic spectrum of the iron adatom on the Pt(111) surface. By using the combination of the first-principles methods and the finite-temperature exact diagonalization approach, we show that the resonance is the result of the valence fluctuations between atomic configurations of the impurity. Our theoretical finding is fully confirmed by the results of the scanning tunneling microscopy measurements [M. F. Crommie, Phys. Rev. B 48, 2851 (1993)PRBMDO1098-012110.1103/PhysRevB.48.2851]. In contrast to the previous theoretical results obtained by using local spin density approximation, the paramagnetic state of the impurity in the experiment is naturally reproduced within our approach. This opens a way for interpretation of STM data collected earlier for metallic surface nanosystems with iron impurities. ©2015 American Physical Society.
URI: http://hdl.handle.net/10995/102312
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 84954115125
PURE ID: 561882
ISSN: 10980121
DOI: 10.1103/PhysRevB.92.245135
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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