[en] Theoretical or Mathematical, Experimental/ ab initio calculations ; band structure ; II-VI semiconductors ; localised states ; nanowires ; semiconductor quantum wires ; wave functions ; wide band gap semiconductors ; zinc compounds/ band structure modulation ; ZnSe/ZnTe nanowires ; first principles calculations ; structural properties ; electronic properties ; core/shell nanowires ;  direction ; hexagonal cross sections ; quantum confinement ; uniaxial strain ; direct-to-indirect band transition ; wave function analysis ; electron states ; ZnSe-ZnTe/ A6146 Structure of solid clusters, nanoparticles, nanotubes and nanostructured materials A6865 Low-dimensional structures: growth, structure and nonelectronic properties A7320D Electron states in low-dimensional structures A7360L Electrical properties of II-VI and III-V semiconductors (thin films/low-dimensional structures) A7320A Surface states, band structure, electron density of states A7125T Electronic structure of crystalline semiconductor compounds and insulators A7115A Ab initio calculations (condensed matter electronic structure) A7155J Localization in disordered structures B2520D II-VI and III-V semiconductors B2530C Semiconductor superlattices, quantum wells and related structures/ ZnSeZnTe/ss Se/ss Te/ss Zn/ss
[en] First-principles calculations have been used to investigate the structural and electronic properties of unpassivated ZnSe, ZnTe and ZnX/ZnY [X = Se(Te),Y = Te(Se)] core/shell nanowires oriented along the  direction with hexagonal cross sections. The effects of quantum confinement and strain on the electronic properties of the nanowires have been explored for different diameters and core/shell thicknesses. We observe that strong band structure modulation is achievable through uniaxial strain. While for ZnTe nanowires, compression induces a direct-to-indirect band transition for diameters larger than 1.4 nm, there is no sign for a similar transition either for single component ZnSe or core/shell nanowires. The wave function analysis reveals a strong preference for localizing the electron states inside ZnSe rich regions.