2018
DOI: 10.15381/rif.v20i2.15164
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Estructura electrónica en sistemas cristalinos de Ge, GaP y SiC

Abstract: Se estudia la estructura electrónica de los cristales de Germanio y de los compuestos cristalinos de Galio-Fosforo y de Silicio-Carbón, usando un potencial funcional de la densidad local de spin (LDA) y el método LMTO se calculan las bandas de energía, la banda de energía prohibida, la densidad de estados DOS, la energía total del sistema cristalino. Las propiedades electrónicas se ajustan bien a los resultados experimentales.

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“…First stage: The effective potential of the arsenic atoms, aluminum and the two empty spheres that fill the unit cell of the crystal lattice was calculated. Potential with functional dependence of the electronic charge and 𝜌(𝑟) a small fraction of the 𝑞 𝑅 external electronic charge residing in the empty spheres of the network, model used by Cabrera Arista to calculate the electronic structure of GaP and SiC, (Cabrera, 2017). For a zinc blende crystal lattice formulated in the approximation of the atomic spheres ASA, (Skriver, 1984), this potential is the form:…”
Section: Figure 1 Crystal Structure Of Alasmentioning
confidence: 99%
“…First stage: The effective potential of the arsenic atoms, aluminum and the two empty spheres that fill the unit cell of the crystal lattice was calculated. Potential with functional dependence of the electronic charge and 𝜌(𝑟) a small fraction of the 𝑞 𝑅 external electronic charge residing in the empty spheres of the network, model used by Cabrera Arista to calculate the electronic structure of GaP and SiC, (Cabrera, 2017). For a zinc blende crystal lattice formulated in the approximation of the atomic spheres ASA, (Skriver, 1984), this potential is the form:…”
Section: Figure 1 Crystal Structure Of Alasmentioning
confidence: 99%