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The energy of the In0.25 Ga0.75 N alloy is calculated using a cell containing six Ga, two In, and eight N atoms. The cell dimensions and internal coordinates are fully relaxed. InGaN alloys with this indium concentration are known to be metastable: according to the present work the separation of In and Ga into fully relaxed InN and GaN would lower the energy by ∼0.04 eV per N atom. Such phase separation is inhibited by kinetics for realistic growth temperatures.
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