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First principles calculations of the electronic and dielectric properties of λ-Ta2O5

Cálculo de primeros principios de las propiedades electrónicas y dieléctricas de λ-Ta2O5

dc.creatorValencia-Balvín, Camilo
dc.creatorPérez-Walton, Santiago
dc.creatorOsorio-Guillén, Jorge M.
dc.date2018-09-14
dc.date.accessioned2021-03-18T21:12:19Z
dc.date.available2021-03-18T21:12:19Z
dc.identifierhttps://revistas.itm.edu.co/index.php/tecnologicas/article/view/1064
dc.identifier10.22430/22565337.1064
dc.identifier.urihttp://test.repositoriodigital.com:8080/handle/123456789/11752
dc.descriptionTa2O5 is a wide-bandgap semiconductor that offers interesting applications in microwavecommunications, mainly related to the manufacture of filters and resonators whosesize is inversely proportional to the dielectric constant of the material. For that reason, inthis work we present a theoretical study, based on density functional theory (using PBEsoland hybrid HSE06 exchange-correlation functionals), of the electronic and dielectricproperties of the orthorhombic model -Ta2O5. We found that this model has a direct gap of2.09 and 3.7 eV with PBEsol and HSE06, respectively. Furthermore, the calculated staticdielectric constant, 51, is in good agreement with the reported values of other phases of thissemiconductor.en-US
dc.descriptionTa2O5 es un semiconductor de gap-ancho el cual tiene interesantes aplicaciones encomunicaciones en la región de las micro-ondas, principalmente está relacionado con lafabricación de filtros y resonadores, donde su tamaño es inversamente proporcional a laconstante dieléctrica del material. Por este motivo, en este trabajo presentamos un estudioteórico a partir de la teoría de los funcionales de la densidad (usando PBEsol y el híbridoHSE06 para el funcional de intercambio-correlación) de las propiedades electrónicas ydieléctricas del modelo ortorrómbico -Ta2O5. Aquí, encontramos que este modelo tiene ungap directo de 2.09 y 3.7 eV con PBEsol y HSE06, respectivamente. Además, la constantedieléctrica estática calculada es 51, en buen acuerdo con los valores reportados para otrasfases de este semiconductor.es-ES
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dc.languageeng
dc.languagespa
dc.publisherInstituto Tecnológico Metropolitano (ITM)en-US
dc.relationhttps://revistas.itm.edu.co/index.php/tecnologicas/article/view/1064/1063
dc.relationhttps://revistas.itm.edu.co/index.php/tecnologicas/article/view/1064/1078
dc.relationhttps://revistas.itm.edu.co/index.php/tecnologicas/article/view/1064/1215
dc.relationhttps://revistas.itm.edu.co/index.php/tecnologicas/article/view/1064/1236
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dc.rightshttps://creativecommons.org/licenses/by-nc-sa/4.0/en-US
dc.sourceTecnoLógicas; Vol. 21 No. 43 (2018); 43-52en-US
dc.sourceTecnoLógicas; Vol. 21 Núm. 43 (2018); 43-52es-ES
dc.source2256-5337
dc.source0123-7799
dc.subjectTa2O5en-US
dc.subjectdensity functional theoryen-US
dc.subjectPBEsolen-US
dc.subjectHSE06en-US
dc.subjectdielectric constanten-US
dc.subjectTa2O5es-ES
dc.subjectteoría de los funcionales de la densidades-ES
dc.subjectPBEsoles-ES
dc.subjectHSE06es-ES
dc.subjectconstante dieléctricaes-ES
dc.titleFirst principles calculations of the electronic and dielectric properties of λ-Ta2O5en-US
dc.titleCálculo de primeros principios de las propiedades electrónicas y dieléctricas de λ-Ta2O5es-ES
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:eu-repo/semantics/publishedVersion
dc.typeArticlesen-US
dc.typeArtículoses-ES


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