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Dynamical effects in x-ray absorption spectra of graphene and monolayered h-BN on Ni(111)
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SYSNO ASEP 0357362 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Dynamical effects in x-ray absorption spectra of graphene and monolayered h-BN on Ni(111) Author(s) Rusz, Ján (FZU-D)
Preobrajenski, A.B. (SE)
Ling, M.L. (SE)
Vinogradov, N.A. (SE)
Martensson, N. (SE)
Wessely, O. (GB)
Sanyal, B. (SE)
Eriksson, O. (SE)Source Title Physical Review. B - ISSN 1098-0121
Roč. 81, č. 7 (2010), 073402/1-073402/4Number of pages 4 s. Language eng - English Country US - United States Keywords fine-structure ; boron-nitride ; hegxagonal BN ; K-edge ; graphite ; excitations ; excitons Subject RIV BM - Solid Matter Physics ; Magnetism CEZ AV0Z10100520 - FZU-D (2005-2011) UT WOS 000274998200019 DOI 10.1103/PhysRevB.81.073402 Annotation We present first-principles calculations of x-ray absorption spectra of graphene and hexagonal BN monolayer on the Ni(111) substrate. Including dynamical core-hole screening effects according to the theory of Mahan-Nozieres-de Dominics (MND) results in an overall good agreement with previously published experimental data and our new observations. This approach provides a unified first-principles description of the electronic structure and core excitations in the sp(2)-bonded materials on metal surfaces and a better insight into the dynamics of screening effects. We demonstrate in particular that the observed spectral features of graphene and hexagonal BN can be well reproduced with the MND theory, and that they are determined by a delicate balance between initial and final-state effects. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2011
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