作者: L. K. Teles , L. G. Ferreira , J. R. Leite , L. M. R. Scolfaro , A. Kharchenko
DOI: 10.1063/1.1583854
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摘要: The energetics and thermodynamic properties of cubic (c-)InxGa1−xN alloys are investigated by combining first-principles total energy calculations, a concentration-dependent cluster-based model, Monte Carlo simulations. search for the ground-state energies leads to conclusion that biaxial strain suppresses phase separation, acts as driving force chemical ordering in c-InxGa1−xN alloys. Ordered superlattice structures, with composition x≅0.5 stable up T=1000 K, arises relevant property strained alloy. We suggest In-rich phases recently observed us c-GaN/InxGa1−xN/GaN double heterostructures ordered domains formed alloy layers due strain.