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This paper studies the bond valence method (BVM) and its application in thenon-isovalent semiconductor alloy (GaN)$_{\rm{1-x}}$(ZnO)$_{\rm{x}}$.Particular attention is paid to the role of short-range order (SRO). A physicalinterpretation based on atomic orbital interaction is proposed and examined bydensity-functional theory (DFT) calculations. Combining BVM with Monte-Carlosimulations and a DFT-based cluster expansion model, bond-length distributionsand bond-angle variations are predicted. The correlation between bond valenceand bond stiffness is also revealed. Finally the concept of bond valence isextended into the modelling of an atomistic potential.

Application of bond valence method in the non-isovalent semiconductor alloy (GaN)$_{1-x}$(ZnO)$_x$