In the present work, CuInS2 nanoparticles have been successfully synthesized by water-bath method with deionized water as solvent and thioglycolic acid as complexing agent at 80°C. The phase transition of CuInS2 from chalcopyrite to wurtzite was realized by adjusting the pH value of reaction solution. The emergence of Cu2S in the condition of higher pH value of reaction solution led to the form...

Znl_xMg$e crystals were grown in the range extending up to x’ = 0.615 and characterized using the X-ray diffraction and electron probe microanalysis. Below x=0.2 there is a phase transition from sphalerite to wurtzite. The lattice constants are found to exhibit linear dependence on x for both, the sphalerite and wurtzite structure types. For compositions close to the phase transition, the forma...

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The mechanism responsible for the wurtzite-to-rocksalt structural phase transition in zinc oxide has been studied through the ab initio calculations of the full phonon properties. We derive a new and general path of the transformation from the parent to the daughter phase which involves an intermediate tetragonal phase. This hypothesis has been tested through analogous calculations on other wid...

A set of interatomic pair potentials is developed for CdS and ZnS crystals. We show that a simple energy function, which has been used to describe the properties of CdSe [E. Rabani, J. Chem. Phys. 116, 258 (2002)], can be parametrized to accurately describe the lattice and elastic constants, and phonon dispersion relations of bulk CdS and ZnS in the wurtzite and rocksalt crystal structures. The...

Using transmission electron microscopy, a new nano-phase structure of Zn0.75Ox induced by Zn-vacancy has been discovered to grow on wurtzite ZnO nanobelts. The superstructure grows epitaxial from the f0 110g surface of the wurtzite ZnO nanobelts and can be fitted as an orthorhombic structure, with lattice parameters a 0Z2a, b0z ffiffiffi 3 p a and c 0Zc, where a and c are the lattice parameters...

Novel core-shell nanostructures comprised of cubic sphalerite and hexagonal wurtzite ZnS have been synthesized at 150°C by a simple hydrothermal method. The results of HR-TEM and SAED investigation reveal that the cores of hexagonal wurtzite ZnS (ca. 200 nm in average diameter) are encapsulated by a shell of cubic sphalerite ZnS. The FE-SEM image of the nanomaterials shows a surface tightly pac...

Ferromagnetic delta-phase manganese gallium with Mn:Ga ratio between 1:1 to 1.5:1 is grown on wurtzite gallium nitride and scandium nitride substrates, using molecular beam epitaxy. The dependencies of growth properties, e.g. interface formation, surface reconstruction and crystalline quality, on substrate crystallographic structure and polarity are investigated. Results suggest that for growth...

A set of interatomic pair potentials were derived for gallium nitride within the shellmodel approach. It was shown that the potential set successfully reproduces the properties of the fourfold-coordinated wurtzite and zinc-blende structures as well as the sixfold-coordinated rocksalt structure. The high-pressure phase transition from wurtzite to rock-salt structure is correctly described yieldi...