Analysis of X-ray absorption spectra of the K and L 2,3 edges of GaN within the FP-LAPW method

Versión enviada del artículo; finalmente publicado en: Grad, G. y Bonzi, E. (2016). Analysis of x-ray absorption spectra of the K and L 2,3 edges of GaN within the FP-LAPW method. Applied Radiation and Isotopes, 110, 244-250. https://doi.org/10.1016/j.apradiso.2016.02.001

Detalles Bibliográficos
Autores principales: Grad, Gabriela Beatriz, Bonzi, Edgardo Venusto
Otros Autores: https://orcid.org/0000-0002-6416-5029
Formato: submittedVersion article
Lenguaje:Inglés
Publicado: 2023
Materias:
Fractional core hole
K and L 2,3 edges
Ab-initio calculations
XANES spectra
Electronic structure
Acceso en línea:http://hdl.handle.net/11086/549443
Aporte de:
Repositorio Digital Universitario (UNC) de Universidad Nacional de Córdoba
id I10-R141-11086-549443
record_format dspace
spelling I10-R141-11086-5494432023-10-11T06:26:33Z Analysis of X-ray absorption spectra of the K and L 2,3 edges of GaN within the FP-LAPW method Grad, Gabriela Beatriz Bonzi, Edgardo Venusto https://orcid.org/0000-0002-6416-5029 https://orcid.org/0000-0002-7313-6000 Fractional core hole K and L 2,3 edges Ab-initio calculations XANES spectra Electronic structure Versión enviada del artículo; finalmente publicado en: Grad, G. y Bonzi, E. (2016). Analysis of x-ray absorption spectra of the K and L 2,3 edges of GaN within the FP-LAPW method. Applied Radiation and Isotopes, 110, 244-250. https://doi.org/10.1016/j.apradiso.2016.02.001 info:eu-repo/semantics/submittedVersion Fil: Grad, Gabriela Beatriz. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía, Física y Computación; Argentina. Fil: Bonzi, Edgardo Venusto. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía, Física y Computación; Argentina. Gallium nitride, GaN, is a semiconductor material with several technological applications and therapeutic potential to inhibits the proliferation of tumor cells. In this work we performed all electron self consistent calculations to obtain XANES spectra to be compared with experimental ones in order to study the electronic properties of these systems. The X-ray fine structure of hexagonal and cubic GaN were studied using the FP-LAPW method with the Tran and Blaha modified Becke-Johnson exchange potential within the DFT formalism. The spectra obtained using the effect of the fractional core hole were compared with experimental cases obtaining very good agreement. info:eu-repo/semantics/submittedVersion Fil: Grad, Gabriela Beatriz. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía, Física y Computación; Argentina. Fil: Bonzi, Edgardo Venusto. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía, Física y Computación; Argentina. Física Atómica, Molecular y Química (física de átomos y moléculas incluyendo colisión, interacción con radiación, resonancia magnética, Moessbauer Efecto.) 2023-10-10T12:23:10Z 2023-10-10T12:23:10Z 2016 article http://hdl.handle.net/11086/549443 eng De la versión publicada: https://doi.org/10.1016/j.apradiso.2016.02.001 Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/ Impreso; Electrónico y/o Digital ISSN: 0969-8043 e-ISSN: 1872-9800
institution Universidad Nacional de Córdoba
institution_str I-10
repository_str R-141
collection Repositorio Digital Universitario (UNC)
language Inglés
topic Fractional core hole
K and L 2,3 edges
Ab-initio calculations
XANES spectra
Electronic structure
spellingShingle Fractional core hole
K and L 2,3 edges
Ab-initio calculations
XANES spectra
Electronic structure
Grad, Gabriela Beatriz
Bonzi, Edgardo Venusto
Analysis of X-ray absorption spectra of the K and L 2,3 edges of GaN within the FP-LAPW method
topic_facet Fractional core hole
K and L 2,3 edges
Ab-initio calculations
XANES spectra
Electronic structure
description Versión enviada del artículo; finalmente publicado en: Grad, G. y Bonzi, E. (2016). Analysis of x-ray absorption spectra of the K and L 2,3 edges of GaN within the FP-LAPW method. Applied Radiation and Isotopes, 110, 244-250. https://doi.org/10.1016/j.apradiso.2016.02.001
author2 https://orcid.org/0000-0002-6416-5029
author_facet https://orcid.org/0000-0002-6416-5029
Grad, Gabriela Beatriz
Bonzi, Edgardo Venusto
format submittedVersion
article
author Grad, Gabriela Beatriz
Bonzi, Edgardo Venusto
author_sort Grad, Gabriela Beatriz
title Analysis of X-ray absorption spectra of the K and L 2,3 edges of GaN within the FP-LAPW method
title_short Analysis of X-ray absorption spectra of the K and L 2,3 edges of GaN within the FP-LAPW method
title_full Analysis of X-ray absorption spectra of the K and L 2,3 edges of GaN within the FP-LAPW method
title_fullStr Analysis of X-ray absorption spectra of the K and L 2,3 edges of GaN within the FP-LAPW method
title_full_unstemmed Analysis of X-ray absorption spectra of the K and L 2,3 edges of GaN within the FP-LAPW method
title_sort analysis of x-ray absorption spectra of the k and l 2,3 edges of gan within the fp-lapw method
publishDate 2023
url http://hdl.handle.net/11086/549443
work_keys_str_mv AT gradgabrielabeatriz analysisofxrayabsorptionspectraofthekandl23edgesofganwithinthefplapwmethod
AT bonziedgardovenusto analysisofxrayabsorptionspectraofthekandl23edgesofganwithinthefplapwmethod
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