4O10Cd Clustering in ZnBVI-Rich CdxZn1−xOyBVI1−y (BVI = S, Se, Te) Highly Lattice-Mismatched Alloys

Abstract

Clustering of highly lattice-mismatched semiconductor alloys has attracted considerable interest recently. However, strong internal strains and cluster variety are the main disadvantages of such alloys. Zinc blende ZnBVI-rich CdxZn1−xOyB1−yVI (BVI = S, Se, Te) with 4O10Cd identical clusters are proposed to resolve these problems. The decrease in the internal strains is a cause of the cluster formation in ZnS- and ZnSe-rich alloys. The favorable CdO and ZnTe bonding is an additional reason for the cluster occurrence in ZnTe-rich alloys. The cohesive energies of CdSe and ZnSe, stiffness coefficients, bond stretching and bond bending elastic constants of CdSe are calculated. The majority of Cd and oxygen atoms should be in 4O10Cd clusters up to 800°C if the ZnS- and ZnSe-rich alloy contents are, respectively, y ≥ 2.5 × 10−4 and y > 3 × 10−4, and x ≈ 2.5y. The obtained results demonstrate that CdxZn1−xOyB1−yVI materials are promising semiconductors with significantly reduced internal strains and identical polyatomic clusters containing oxygen tetrahedrons.