About: Dynamical effects in x-ray absorption spectra of graphene and monolayered h-BN on Ni(111)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	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. 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. (en)
Title	Dynamical effects in x-ray absorption spectra of graphene and monolayered h-BN on Ni(111) Dynamical effects in x-ray absorption spectra of graphene and monolayered h-BN on Ni(111) (en)
skos:prefLabel	Dynamical effects in x-ray absorption spectra of graphene and monolayered h-BN on Ni(111) Dynamical effects in x-ray absorption spectra of graphene and monolayered h-BN on Ni(111) (en)
skos:notation	RIV/68378271:_____/10:00357362!RIV11-AV0-68378271
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z10100520)
http://linked.open...iv/cisloPeriodika	7
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Rusz, Ján
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Fyzikální ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	255518
http://linked.open...ai/riv/idVysledku	RIV/68378271:_____/10:00357362
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	fine-structure; boron-nitride; hegxagonal BN; K-edge; graphite; excitations; excitons (en)
http://linked.open.../riv/klicoveSlovo	graphite excitations K-edge boron-nitride hegxagonal BN excitons fine-structure
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[2C80AD4DEE36]
http://linked.open...i/riv/nazevZdroje	Physical Review. B
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	8 (xsd:int)
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	81
http://linked.open...iv/tvurceVysledku	Rusz, Ján Eriksson, O. Sanyal, B. Ling, M. L. Martensson, N. Preobrajenski, A. B. Vinogradov, N. A. Wessely, O.
http://linked.open...ain/vavai/riv/wos	000274998200019
http://linked.open...n/vavai/riv/zamer	Specific effects in condensed systems with reduced dimension and broken symmetry
issn	1098-0121
number of pages	4 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Dynamical effects in x-ray absorption spectra of graphene and monolayered h-BN on Ni(111) Dynamical effects in x-ray absorption spectra of graphene and monolayered h-BN on Ni(111) Dynamical effects in x-ray absorption spectra of graphene and monolayered h-BN on Ni(111)

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