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Electronic structure of non-centrosymmetric AgCd2GaS4 and AgCd2GaSe4 single crystals

Bekenev, V.L. ; Bozhko, V.V. ; Parasyuk, O.V. ; Davydyuk, G.E. ; Bulatetska, L.V. ; Fedorchuk, A.O. ; Kityk, I.V. ; Khyzhun, O.Y.

Journal of electron spectroscopy and related phenomena, 2012-12, Vol.185 (12), p.559-566 [Periódico revisado por pares]

Elsevier B.V

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  • Título:
    Electronic structure of non-centrosymmetric AgCd2GaS4 and AgCd2GaSe4 single crystals
  • Autor: Bekenev, V.L. ; Bozhko, V.V. ; Parasyuk, O.V. ; Davydyuk, G.E. ; Bulatetska, L.V. ; Fedorchuk, A.O. ; Kityk, I.V. ; Khyzhun, O.Y.
  • Assuntos: Cadmium ; Chalcogenide crystals ; Electronic structure ; Energy distribution ; Gallium ; Plane waves ; Single crystals ; X-ray emission spectroscopy ; X-ray photoelectron spectroscopy ; X-rays
  • É parte de: Journal of electron spectroscopy and related phenomena, 2012-12, Vol.185 (12), p.559-566
  • Notas: ObjectType-Article-2
    SourceType-Scholarly Journals-1
    ObjectType-Feature-1
    content type line 23
  • Descrição: ► XPS spectra of AgCd2GaS4 and AgCd2GaSe4 single crystals have been measured. ► High chemical stability of the (001) surface is characteristic of the single crystals. ► Electronic structure of AgCd2GaS4 has been calculated by the FP-LAPW method. ► The theoretical band-structure data for AgCd2GaS4 are confirmed experimentally. ► Second harmonic generation efficiency of AgCd2GaS4 has been investigated. X-ray photoelectron core-level and valence-band spectra for pristine and Ar+-ion irradiated (001) surfaces of AgCd2GaS4 and AgCd2GaSe4 single crystals grown, respectively, by the Bridgman method and the method of direct crystallization have been measured in the present work. The X-ray photoelectron spectroscopy (XPS) results reveal high chemical stability of (001) surfaces of AgCd2GaS4 and AgCd2GaSe4 single crystals. Electronic structure of AgCd2GaS4 has been calculated employing the full potential linearized augmented plane wave method. For the AgCd2GaS4 compound, the X-ray emission bands representing the energy distribution of the valence Ag d-, Cd d-, Ga p- and S p-like states were recorded and compared on a common energy scale with the XPS valence-band spectrum. The theoretical and experimental data regarding the occupation of the valence band of AgCd2GaS4 were found to be in excellent agreement to each other. Second harmonic generation (SHG) efficiency of AgCd2GaS4 by using the 320ns CO laser at 5.5μm has been recorded within the temperature range 80–300K. Substantial increase of the photoinduced SHG which in turn is substantially dependent on the temperature has been detected for the AgCd2GaS4 compound.
  • Editor: Elsevier B.V
  • Idioma: Inglês;Francês;Alemão
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  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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