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Submitted on 1 Jan 1980
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SIMPLE THEORY FOR ALLOY DENSITY OF STATES INCLUDING LOCAL ATOMIC
CONFIGURATIONS
J. Franz, M. Jonson
To cite this version:
J. Franz, M. Jonson. SIMPLE THEORY FOR ALLOY DENSITY OF STATES INCLUDING LO- CAL ATOMIC CONFIGURATIONS. Journal de Physique Colloques, 1980, 41 (C8), pp.C8-44-C8-44.
�10.1051/jphyscol:1980811�. �jpa-00220205�
JOURNAL DE PHYSIQUE CoZZoque C8, suppZdment au n08, Tome 41, aoct 1980, page C8-44
J.R. Franz and M. Jonsont
Indiana University, Indiana
,
U.S.A.Abstract.
-
Using t h e numerical Ilonte-Carlo technique o f G i r v i n andon son,'
we have c a l c u l a t e d the d e n s i t i e s o f s t a t e s o f model l i q u i d b i n a r y a l l o y s . The s t r e n g t h o f the method i s i t s a b i l i t y t o accu- r a t e l y account f o r l o c a l atomic c o n f i g u r a t i o n s w h i l e a v o i d i n g e x p l i c i t rimy-atom c l u s t e r c a l c u l a t i o n s . Results w i l l be presented f o r low c o n n e c t i v i t y model a l l o y s f o r which e f f e c t s of210cal c o n f i g u r a t i o n s a r e p a r t i c u l a r l y e v i d e n t . Comparison w i t h t h e v ~ o r k o f Franz, Brouers, and Holzhey f o r t h e Cs-PU sys- tem w i l l be given. A p p l i c a t i o n of the technique t o the c a l c u l a t i o n o f t h e c o n d u c t i v i t y w i l l be d i s - cussed. I n p a r t i c u l a r , i t w i l l be shown t h a t p a r t i a l l y l o c a l i z e d s t a t e s e x i s t w i t h i n t h e bands t h a t c o n t r i b u t e t o t h e d e n s i t y o f s t a t e s b u t o n l y m i n i m a l l y t o t h e c o n d u c t i v i t y . /\nother i m p o r t a n t f e a t u r e o f t h e method i s i t s a b i l i t y t o describe Anderson l o c a l i z a t i o n . P new r e s u l t o f t h e t h e o r y i s the3 OCCUt-r-enCeof mu1 t i p l e m o b i l i t y edges s e p a r a t i n g regions o f finderson l o c a l i z a t i o n i n s i d e t h e band.References
/1/ r1. Jonson and S.M. G i r v i n , Phys. Rev. L e t t .
43
1447 (1979)
/2/ J.R. Franz, F. Brouers and Ch. Holzhey, J. Phys. F:
Metal Phys.
10,
235 (1980)./3/ M. Jonson and J.R. Franz, Submitted t o J. Phys. C:
S o l i d S t a t e Phys.
%This worK p a r t i a l l y supported by DMR 77-11305
t
On l e a v e from t h e I n s t i t u t e o f T h e o r e t i c a l Physics, Gtteborg, Sweden.Article published online by EDP Sciences and available at http://dx.doi.org/10.1051/jphyscol:1980811