Electronic Structure of GaAs and AlAs using a Hamiltonian Tight-Binding sp3s∗
We calculate the electronic states in volume for GaAs and AlAs in Zinc-Blenda structure using the Tight-Binding (TB) method. The TB Hamiltonian was constructed using a base of s, p and s∗ orbitals. Thes∗ orbitals represent excited states with equal symmetry as the s orbitals. Carrying out the numeri...
- Autores:
- Tipo de recurso:
- Fecha de publicación:
- 2021
- Institución:
- Universidad Pedagógica y Tecnológica de Colombia
- Repositorio:
- RiUPTC: Repositorio Institucional UPTC
- Idioma:
- spa
- OAI Identifier:
- oai:repositorio.uptc.edu.co:001/15314
- Acceso en línea:
- https://revistas.uptc.edu.co/index.php/ciencia_en_desarrollo/article/view/12612
https://repositorio.uptc.edu.co/handle/001/15314
- Palabra clave:
- Tight-Binding, relaciones de dispersión, densidad de estados.
Tight-Binding, dispersion relations, density of states.
- Rights
- License
- http://purl.org/coar/access_right/c_abf2
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2021-09-072024-07-08T14:24:03Z2024-07-08T14:24:03Zhttps://revistas.uptc.edu.co/index.php/ciencia_en_desarrollo/article/view/1261210.19053/01217488.v12.n2.2021.12612https://repositorio.uptc.edu.co/handle/001/15314We calculate the electronic states in volume for GaAs and AlAs in Zinc-Blenda structure using the Tight-Binding (TB) method. The TB Hamiltonian was constructed using a base of s, p and s∗ orbitals. Thes∗ orbitals represent excited states with equal symmetry as the s orbitals. Carrying out the numericaldiagonalization of the Hamiltonian, the dispersion relationships were determined for some directions ofhigh symmetry of the first Brillouin zone (FBZ), obtaining a direct gap of 1.54 eV for GaAs and an indirectgap of 2.26 eV for AlAs. The total (DOS) and partial state densities indicate the presence of s orbitals inthe lower part of the valence band (BV), p orbitals in the upper part of the BV and in the lower part of theconduction band (BC), and s∗ orbitals on top of BC. Our results agree quite well with other experimentaland theoretical reports.Calculamos los estados electrónicos en volumen para GaAs y AlAs en estructura Zinc-Blenda usando el método Tight-Binding (TB). El Hamiltoniano TB se construyó usando una base de orbitales s, p y s∗. Los orbitales s∗ representan estados excitados con igual simetría de los orbitales s. Llevando a cabo la diagonalización numérica del Hamiltoniano, se determinaron las relaciones de dispersión para algunas direcciones de alta simetría de la primera zona de Brillouin (PZB), obteniendo un gap directo de 1.54 eV para GaAs y un gap indirecto de 2.26 eV para AlAs. Las densidades de estados totales (DOS) y parciales indican la presencia de orbitales s en la parte inferior de la banda de valencia (BV), orbitales p en la parte superior de la BV y en la parte inferior de la banda de conducción (BC), y orbitales s∗ en la parte superior de la BC. Nuestros resultados concuerdan bastante bien con otros reportes experimentales y teóricos.application/pdfspaspaUniversidad Pedagógica y Tecnológica de Colombiahttps://revistas.uptc.edu.co/index.php/ciencia_en_desarrollo/article/view/12612/11161Ciencia En Desarrollo; Vol. 12 No. 2 (2021): Vol 12, Núm.2 (2021): Julio-DiciembreCiencia en Desarrollo; Vol. 12 Núm. 2 (2021): Vol 12, Núm.2 (2021): Julio-Diciembre2462-76580121-7488Tight-Binding, relaciones de dispersión, densidad de estados.Tight-Binding, dispersion relations, density of states.Electronic Structure of GaAs and AlAs using a Hamiltonian Tight-Binding sp3s∗Estructura Electrónica de GaAs y AlAs usando un Hamiltoniano Tight-Binding sp3s∗info:eu-repo/semantics/articlehttp://purl.org/coar/version/c_970fb48d4fbd8a85http://purl.org/coar/resource_type/c_2df8fbb1http://purl.org/coar/access_right/c_abf2Rasero Causil, Diego AlejandroPortacio, Alfonso A.Suescun , Daniel001/15314oai:repositorio.uptc.edu.co:001/153142025-07-18 10:56:33.108metadata.onlyhttps://repositorio.uptc.edu.coRepositorio Institucional UPTCrepositorio.uptc@uptc.edu.co |
| dc.title.en-US.fl_str_mv |
Electronic Structure of GaAs and AlAs using a Hamiltonian Tight-Binding sp3s∗ |
| dc.title.es-ES.fl_str_mv |
Estructura Electrónica de GaAs y AlAs usando un Hamiltoniano Tight-Binding sp3s∗ |
| title |
Electronic Structure of GaAs and AlAs using a Hamiltonian Tight-Binding sp3s∗ |
| spellingShingle |
Electronic Structure of GaAs and AlAs using a Hamiltonian Tight-Binding sp3s∗ Tight-Binding, relaciones de dispersión, densidad de estados. Tight-Binding, dispersion relations, density of states. |
| title_short |
Electronic Structure of GaAs and AlAs using a Hamiltonian Tight-Binding sp3s∗ |
| title_full |
Electronic Structure of GaAs and AlAs using a Hamiltonian Tight-Binding sp3s∗ |
| title_fullStr |
Electronic Structure of GaAs and AlAs using a Hamiltonian Tight-Binding sp3s∗ |
| title_full_unstemmed |
Electronic Structure of GaAs and AlAs using a Hamiltonian Tight-Binding sp3s∗ |
| title_sort |
Electronic Structure of GaAs and AlAs using a Hamiltonian Tight-Binding sp3s∗ |
| dc.subject.es-ES.fl_str_mv |
Tight-Binding, relaciones de dispersión, densidad de estados. |
| topic |
Tight-Binding, relaciones de dispersión, densidad de estados. Tight-Binding, dispersion relations, density of states. |
| dc.subject.en-US.fl_str_mv |
Tight-Binding, dispersion relations, density of states. |
| description |
We calculate the electronic states in volume for GaAs and AlAs in Zinc-Blenda structure using the Tight-Binding (TB) method. The TB Hamiltonian was constructed using a base of s, p and s∗ orbitals. Thes∗ orbitals represent excited states with equal symmetry as the s orbitals. Carrying out the numericaldiagonalization of the Hamiltonian, the dispersion relationships were determined for some directions ofhigh symmetry of the first Brillouin zone (FBZ), obtaining a direct gap of 1.54 eV for GaAs and an indirectgap of 2.26 eV for AlAs. The total (DOS) and partial state densities indicate the presence of s orbitals inthe lower part of the valence band (BV), p orbitals in the upper part of the BV and in the lower part of theconduction band (BC), and s∗ orbitals on top of BC. Our results agree quite well with other experimentaland theoretical reports. |
| publishDate |
2021 |
| dc.date.accessioned.none.fl_str_mv |
2024-07-08T14:24:03Z |
| dc.date.available.none.fl_str_mv |
2024-07-08T14:24:03Z |
| dc.date.none.fl_str_mv |
2021-09-07 |
| dc.type.none.fl_str_mv |
info:eu-repo/semantics/article |
| dc.type.coarversion.fl_str_mv |
http://purl.org/coar/version/c_970fb48d4fbd8a85 |
| dc.type.coar.fl_str_mv |
http://purl.org/coar/resource_type/c_2df8fbb1 |
| dc.identifier.none.fl_str_mv |
https://revistas.uptc.edu.co/index.php/ciencia_en_desarrollo/article/view/12612 10.19053/01217488.v12.n2.2021.12612 |
| dc.identifier.uri.none.fl_str_mv |
https://repositorio.uptc.edu.co/handle/001/15314 |
| url |
https://revistas.uptc.edu.co/index.php/ciencia_en_desarrollo/article/view/12612 https://repositorio.uptc.edu.co/handle/001/15314 |
| identifier_str_mv |
10.19053/01217488.v12.n2.2021.12612 |
| dc.language.none.fl_str_mv |
spa |
| dc.language.iso.none.fl_str_mv |
spa |
| language |
spa |
| dc.relation.none.fl_str_mv |
https://revistas.uptc.edu.co/index.php/ciencia_en_desarrollo/article/view/12612/11161 |
| dc.rights.coar.fl_str_mv |
http://purl.org/coar/access_right/c_abf2 |
| rights_invalid_str_mv |
http://purl.org/coar/access_right/c_abf2 |
| dc.format.none.fl_str_mv |
application/pdf |
| dc.publisher.es-ES.fl_str_mv |
Universidad Pedagógica y Tecnológica de Colombia |
| dc.source.en-US.fl_str_mv |
Ciencia En Desarrollo; Vol. 12 No. 2 (2021): Vol 12, Núm.2 (2021): Julio-Diciembre |
| dc.source.es-ES.fl_str_mv |
Ciencia en Desarrollo; Vol. 12 Núm. 2 (2021): Vol 12, Núm.2 (2021): Julio-Diciembre |
| dc.source.none.fl_str_mv |
2462-7658 0121-7488 |
| institution |
Universidad Pedagógica y Tecnológica de Colombia |
| repository.name.fl_str_mv |
Repositorio Institucional UPTC |
| repository.mail.fl_str_mv |
repositorio.uptc@uptc.edu.co |
| _version_ |
1839633839145615360 |