Ternary zincblende-derived I-III-VI2 chalcogenide and II-IV-V2 pnictide semiconductors have been widely studied and some have been put to practical use. In contrast to the extensive research on these semiconductors, previous studies into ternary I-III-O2 oxide semiconductors with a wurtzite-derived β-NaFeO2 structure are limited. Wurtzite-derived β-LiGaO2 and β-AgGaO2 form alloys with ZnO and t...

This paper describes the equilibrium morphologies of zinc sulfide nanoparticles in the wurtzite phase as a function of size, determined using ab initio Density Functional Theory (DFT) simulations and a shape-dependent thermodynamic model predicting the Gibbs free energy of a nanoparticle. We investigate the relative stabilities of a variety of nanoparticle shapes based on the wurtzite structure...

Studies of pressure induced phase transformations of ZnS nanoparticles using diamond anvil cells and synchrotron radiation were carried out to 20.0 GPa. Nanoparticles initially in the zinc-blende and wurtzite phases both transformed to the NaCl phase under the application of pressure. The zinc-blende particles, which were of 2.8 nm size, and the wurtzite particles, which were of 25.3 nm size, t...

A unique all-wurtzite ZnO/ZnSe hetero-nanohelix is formed via growing wurtzite ZnSe nanoteeth on ZnO nanobelts through a one step thermal evaporation method. The microstructure and growth mechanism of the hetero-nanohelix are investigated in detail. The formation of metastable wurtzite ZnSe is attributed to the wurtzite ZnO template. Mechanical forces, thermal expansion and polar plane in hexag...

The study of the optical properties epitaxial quantum dots is important in development high-performance opto-electronic devices and room-temperature light sources. This focuses on effects crystal orientation spontaneous emission peak wurtzite GaN/AlN grown semi-polar substrates. Theoretical analysis shows that a tenfold increase can occur as changes from $$\theta =0^\circ$$ to =90^\circ$$ . sig...

Basal-plane stacking faults in wurtzite AlN, GaN, and InN are studied using density-functionalpseudopotential calculations. The formation energies follow the trend exhibited for the zinc-blende/wurtzite energy differences in the bulk materials, namely, lowest energy for GaN and highest for AlN. Type-I stacking faults have the lowest energy, followed by type-II stacking faults, and finally extri...

Semiconductor nanocrystals (NCs) have emerged as an important class of materials because of their tunable optoelectronic properties that arise from quantum size effects. They can be used as active components in functional nanocomposites, chemical sensors, biomedicine, optoelectronics, and nanoelectronics. More recently, NCs of different shapes, including rods, bipods, tripods, tetrapods, and cu...

III-V compound semiconductors can exist in two major crystal phases, namely, zincblende (ZB) and wurtzite (WZ). While ZB is thermodynamically favorable in conventional III-V epitaxy, the pure WZ phase can be stable in nanowires with diameters smaller than certain critical values. However, thin nanowires are more vulnerable to surface recombination, and this can ultimately limit their performanc...

Wurtzite ZnO can be substituted with up to 30% MgO to form a metastable Zn1−xMgxO alloy while still retaining the wurtzite structure. Because this alloy has a larger band gap than pure ZnO, Zn1−xMgxO/ZnO quantum wells and superlattices are of interest as candidates for applications in optoelectronic and electronic devices. Here, we report the results of an ab initio study of the spontaneous pol...

ZnO nanoparticles (ZnO-NPs) were prepared by a solegel combustion method from a zinc acetate precursor and acetic acid. The ZnO-NPs were synthesized at calcination temperatures of 650 C and 750 C for 1 h. The synthesized ZnO-NPs were characterized by X-ray diffraction analysis (XRD) and TEM. The XRD results revealed that the sample product was crystalline with a hexagonal wurtzite phase. Highma...