A Pseudopotential Approach to Mixing Enthalpies of (III–V)1-x(IV2)x
- 1 October 1988
- journal article
- Published by IOP Publishing in Japanese Journal of Applied Physics
- Vol. 27 (10R)
- https://doi.org/10.1143/jjap.27.1916
Abstract
The mixing enthalpies of pseudobinary (III-V)1-x (IV2) x solid solutions are investigated using a pseudopotential perturbation approach. These enthalpies and lattice parameters of (III-V)1-x (IV2) x with ordered (zincblende) and metastable disordered (diamond) structures are successfully calculated by accounting for atomic configurations. The lattice parameters are congruent with Vegard's law and the mixing enthalpies of the ordered structure alloys are found to be larger than those of the disordered structure alloys. The disordered alloy systems with small lattice parameter mismatch such as (GaAs)1-x (Ge2) x and (GaP)1-x (Ge2) x have a miscible region over the entire concentration range at very low temperatures. Those calculated results are also compared with Hume-Rothery's empirical rule.Keywords
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