We present a general approach to perform coherent-potential electronic-structure calculations of semiconductor alloys within the coherent-potential approximation, using continued fractions for the representation of the relevant Green's-function matrix elements. Starting from a tight-binding representation of the constituent-semiconductor Hamiltonian, it is shown how to evaluate self-consistently a large number of continued-fraction coefficients by means of the construction of an appropriate biorthonormal basis set. A simplified procedure for situations in which groups of energy bands can be treated independently is also proposed. With respect to other approaches in the literature, our procedure presents some special formal and technical advantages that should allow much more manageable treatment of semiconductor alloys.

COHERENT-POTENTIAL APPROXIMATION WITH THE CONTINUED-FRACTION FORMALISM

GROSSO, GIUSEPPE;
1991-01-01

Abstract

We present a general approach to perform coherent-potential electronic-structure calculations of semiconductor alloys within the coherent-potential approximation, using continued fractions for the representation of the relevant Green's-function matrix elements. Starting from a tight-binding representation of the constituent-semiconductor Hamiltonian, it is shown how to evaluate self-consistently a large number of continued-fraction coefficients by means of the construction of an appropriate biorthonormal basis set. A simplified procedure for situations in which groups of energy bands can be treated independently is also proposed. With respect to other approaches in the literature, our procedure presents some special formal and technical advantages that should allow much more manageable treatment of semiconductor alloys.
1991
Cordelli, A; Grosso, Giuseppe; PASTORI PARRAVICINI, G.
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11568/18757
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus ND
  • ???jsp.display-item.citation.isi??? 3
social impact