First principles calculation of the electronic structure of hydrogenated amorphous silicon
Por:
Díaz G., Martínez E., Ynduráin F.
Publicada:
1 ene 1985
Resumen:
A new method to calculate electronic structure of non-periodic systems is presented. The calculation is performed using atomic core pseudopotentials and a basis of atomic gaussian wavefunctions. The system is described by a Cluster-Bethe-Lattice model, treated selfconsistently in a Hartree-Fock approximation. Correlation is partially included in second order perturbation theory. Results for a-Si and a-Si:H are discussed. © 1985.
Filiaciones:
Díaz G.:
Departamento de Física Fundamental, C-III, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid, Spain
Martínez E.:
Departamento de Física Fundamental, C-III, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid, Spain
Ynduráin F.:
Departamento de Física Fundamental, C-III, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid, Spain
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