STRUCTURE AND PHASE-STABILITY OF GAXIN1-XP SOLID-SOLUTIONS FROM COMPUTATIONAL ALCHEMY

The structural and thermodynamical properties of GaxIn1-xP solid solutions are studied using Monte Carlo simulations based on density-functional perturbation theory. The free-standing alloy displays a model random behavior, with a miscibility gap below approximately 820 K. In samples grown on a GaAs (001) substrate, the resulting epitaxial strain stabilizes various ordered phases which give rise to a rich phase diagram below approximately 230 K. Among these phases, the chalcopyrite is dominant for x = 0.5, and two new, more complex, stable phases have been identified at different concentrations.


Published in:
Physical Review Letters, 72, 25, 4001-4004
Year:
1994
ISSN:
0031-9007
Keywords:
Laboratories:




 Record created 2012-06-29, last modified 2018-03-17


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