Open AccessTHEORY OF N-COMPONENT DISORDER MATERIALS WITH SHORT-RANGE ORDER
Author(s) -
Fu Zhuo-Wu
Publication year - 1985
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.34.493
Subject(s) - hamiltonian (control theory) , component (thermodynamics) , cluster expansion , lattice (music) , ternary operation , k nearest neighbors algorithm , cluster (spacecraft) , materials science , condensed matter physics , range (aeronautics) , bethe lattice , density of states , physics , thermodynamics , computer science , mathematics , acoustics , ising model , programming language , mathematical optimization , artificial intelligence , composite material
A theory for studying the properties of N-component disorder materials is developed. It takes into account the short-range correlation effect of nearest-neighbor atoms and includes various disorder arrangements of atoms from segregation to forming N-component compound within the same framework. The method to calculate the density of electronic states of disorder materials using extended Cluster-Bethe-Lattice Green function with a tight-binding Hamiltonian is present in detail. As an application, we calculated the densities of states of ternary disorder alloys AxByCz(x + y + z) =1 under various concentrations and different correlation parameters. The results show strikingly the effects of correlation among the atoms and of disorder on the densities of states.