Band structure and related electronic properties of YxIn1−xN ternary system

• Electronic structure of YxIn1−xN.
• Composition dependence of the band parameters of YxIn1−xN.
• Pseudopotential calculation.

Based on a pseudopotential formalism under the virtual crystal approximation, a theoretical study is carried out on the electronic band structure and derived properties of YxIn1−xN ternary system for the hypothetical zinc-blende phase. Features such as direct and indirect energy band gaps and electron effective mass have been calculated. Besides, the ionicity of the alloy system under load has been discussed in terms of the antisymmetric band gap. Generally, our results agree well with the available experimental and previously published theoretical data. The alloy composition dependence of the band parameters of interest has been examined.