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
| Main Authors: | , |
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| Format: | info:eu-repo/semantics/submittedVersion |
| Language: | eng |
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2023
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| Online Access: | http://hdl.handle.net/11086/549443 |
| _version_ | 1801211621728583680 |
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| author | Grad, Gabriela Beatriz Bonzi, Edgardo Venusto |
| author2 | https://orcid.org/0000-0002-6416-5029 |
| author_facet | https://orcid.org/0000-0002-6416-5029 Grad, Gabriela Beatriz Bonzi, Edgardo Venusto |
| author_sort | Grad, Gabriela Beatriz |
| collection | Repositorio Digital Universitario |
| 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 |
| format | info:eu-repo/semantics/submittedVersion |
| id | rdu-unc.549443 |
| institution | Universidad Nacional de Cordoba |
| language | eng |
| publishDate | 2023 |
| record_format | dspace |
| spelling | rdu-unc.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 |
| 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 |
| title | 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_short | 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 |
| topic | Fractional core hole K and L 2,3 edges Ab-initio calculations XANES spectra Electronic structure |
| url | http://hdl.handle.net/11086/549443 |
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