A new approach to the electronic structure of two dimensional disordered alloys


Autoria(s): Mello, Denise Fernandes de; Cabrera, G. G.
Contribuinte(s)

Universidade Estadual Paulista (UNESP)

Data(s)

27/05/2014

27/05/2014

01/06/1995

Resumo

We propose a novel method to calculate the electronic Density of States (DOS) of a two dimensional disordered binary alloy. The method is highly reliable and numerically efficient, and Short Range Order (SRO) correlations can be included with no extra computational cost. The approach devised rests on one dimensional calculations and is applied to very long stripes of finite width, the bulk regime being achieved with a relatively small number of chains in the disordered case. Our approach is exact for the pure case and predicts the correct DOS structure in important limits, such as the segregated, random, and ordered alloy regimes. We also suggest important extensions of the present work. © 1995.

Formato

703-707

Identificador

http://dx.doi.org/10.1016/0038-1098(95)00151-4

Solid State Communications. Oxford: Pergamon-Elsevier B.V., v. 94, n. 9, p. 703-707, 1995.

0038-1098

http://hdl.handle.net/11449/130681

10.1016/0038-1098(95)00151-4

WOS:A1995QV88100004

2-s2.0-0029323936

Idioma(s)

eng

Publicador

Elsevier B.V.

Relação

Solid State Communications

Direitos

closedAccess

Palavras-Chave #A. disordered systems #D. electronic states (localized) #D. order-disorder effects #Binary alloys #Computational methods #Monte Carlo methods #Order disorder transitions #Quantum theory #Density of states #Short range order correlations #Two dimensional disordered alloys #Electronic structure
Tipo

info:eu-repo/semantics/article