Narrow Results

For the first time, a general viewpoint of electronegativity and chemical bond in alloy semiconductors, e.g., Mg_xZn_1-xO(x = 0.0-1.0) was proposed. The variation of bulk modulus and bond length, as well as their dependence on Mg concentration x were quantitatively simulated. The bulk moduli of Mg_xZn_1-xO alloys decrease with increasing Mg concentration x. The detailed variation of bond lengths of both Mg–O and Zn–O in Mg_xZn_1-xO alloys in the whole composition range was determined, which is less than 0.007 Å. The valence state of Mg is larger than that of Zn when x = 0.0-1.0, which leads to the increase of valence state of O with increasing Mg concentration x. The current results clearly indicate that Mg_xZn_1-xO condenses in an alloy state.