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AB INITIO calculation of graphite surface-bulk core-level splitting

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    0100234 - FZU-D 20040214 RIV US eng J - Journal Article
    Šimůnek, Antonín - Vackář, Jiří
    AB INITIO calculation of graphite surface-bulk core-level splitting.
    [Ab initio výpočet rozštěpení 1s hladiny grafitu na povrchu a v objemu.]
    Physical Review. B. Roč. 69, č. 7 (2004), 073403/1-073403/4. ISSN 0163-1829
    R&D Projects: GA AV ČR IAA1010317
    Grant - others:WTZ(AT) 13/2003; NATO(XX) PSR.CLG.979025
    Institutional research plan: CEZ:AV0Z1010914
    Keywords : graphite surface * core-level splitting * photoelectron spectra
    Subject RIV: BM - Solid Matter Physics ; Magnetism
    Impact factor: 3.075, year: 2004

    The origine of two carbon 1s components observed recently in photoelectron energy spectra of graphite have been analyzed quantitavely by means of electronic structure and total-energy calculations. The results of calculations show that final-state relaxations plays a critical role

    Ab initio výpočtem bylo zjištěno, že dvě uhlíkové 1s složky pozorované ve fotoelektronových spektrech jsou způsobeny relaxacemi struktury povrchu způsobené fotoelektronovým procesem
    Permanent Link: http://hdl.handle.net/11104/0007738
     
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