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...

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Detalhes bibliográficos
Principais autores: Rasero Causil, Diego Alejandro, Portacio, Alfonso A., Suescun , Daniel
Formato: Online
Idioma:spa
Publicado em: Universidad Pedagógica y Tecnológica de Colombia 2021
Assuntos:
Acesso em linha:https://revistas.uptc.edu.co/index.php/ciencia_en_desarrollo/article/view/12612
Descrição
Resumo: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.