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Thermodynamic modelling of miscibility in (InAs) (x) (GaAs)(1-x) solid solutions

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Title Thermodynamic modelling of miscibility in (InAs) (x) (GaAs)(1-x) solid solutions
 
Creator ADHIKARI, J
 
Subject valence force field model
order-disorder phase transition
Margules models
non-random two liquid model
In
(x)
Ga1-
(x)
As
FORCE-FIELD MODEL
CRYSTALLINE SOLUTIONS
MIXING PROPERTIES
LIQUID MIXTURES
2-PHASE DATA
WURTZITE
TERNARY
ALLOYS
ENERGY
 
Description Current methods used to model the solution thermodynamics of III-V compound semiconductors involve the use of the valence force field as the molecular model and the regular solution model (with the temperature independent interaction parameter and underlying assumption of random mixing) as the engineering model. In this study, excess free energy models (with three or less adjustable parameters) are investigated to predict the solid-solid miscibility of (InAs) (x) (GaAs)(1-) (x) . The models investigated include the Porter/one-constant Margules (OCM) model, the two-constant Margules (TCM) model and the non-random two liquid (NRTL) model. These models are fit to excess free energy values derived from free energy change of mixing (variation with composition) data available from molecular simulations at different temperatures. The parameters in all the models have been found to be temperature dependent. The coexistence compositions are best predicted by the NRTL model, indicating the need to consider non-random mixing effects present in these solid solutions. The TCM model predicts better equilibrium composition data as compared to the OCM model.
 
Publisher TAYLOR & FRANCIS LTD
 
Date 2014-10-17T06:11:52Z
2014-10-17T06:11:52Z
2013
 
Type Article
 
Identifier PHASE TRANSITIONS, 86(5)516-530
0141-1594
1029-0338
http://dx.doi.org/10.1080/01411594.2012.703669
http://dspace.library.iitb.ac.in/jspui/handle/100/16152
 
Language en