Abstract
Self-ordering of isoelectronic magnesium and oxygen impurities in ZnSe is described. The formation of 1O4 Mg tetrahedral cells in ZnSe-enriched MgxZn1−x OySe1−y alloy (x ≥ 4y) in the ultradilute limit (1 × 10−8 ≤ y ≤ 1 × 10−3) of oxygen concentrations is predicted. Under certain conditions that are established for the temperatures of growth (300°C) and annealing (500°C), all of the oxygen impurity atoms should be surrounded by Mg atoms only. The origin of this phenomenon is the thermodynamic preference for Mg-O and Zn-Se bond formation compared to Mg-S and Zn-O bonds and a decrease in the elastic-stress energy after self-ordering of the alloy.
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