For wurtzite structures that have noncentral symmetry, such as ZnO, GaN and InN, a piezoelectric potential (piezopotential) is created in the crystal by applying a strain. Owing to the semiconducting and piezoelectric properties of the wurtzite family, the strain-created inner-crystal piezopotential can serve as a “gate voltage” that can effectively tune/control the charge transport across an i...

We identify two categories of reconstructions occurring on wurtzite GaN surfaces, the first associated with the N-face, (000 ), and the second associated with the Ga-face, (0001). Not only do these two categories of reconstructions have completely different symmetries, but they also have different temperature dependence. It is thus demonstrated that surface reconstructions can be used to identi...

Crystal morphologies are important for the design and functionality of devices based on low-dimensional nanomaterials. The equilibrium crystal shape (ECS) is a key quantity in this context. It is determined by surface energies, which are hard to access experimentally but can generally be well predicted by first-principles methods. Unfortunately, this is not necessarily so for polar and semipola...

A-axis-oriented single-crystal AlFeN grains grew from randomly oriented small wurtzite with deposition time on Si(100). (a) Deposition dependence of Al K-edge XANES spectra. (b) Theoretical

Suitable tight-binding models for wurtzite III–V (non-nitride) and group-V materials are presently missing in the literature. Many commonly used nearest neighbor cubic-zincblende semiconductors result highly inaccurate band structures when transferred to hexagonal polytypes. Wurtzite parameters would be of use modeling nanowires that primarily condense into either or zincblende crystal phases. ...

We report a simple solvothermal synthesis approach to the growth of CuInS(2) nanocrystals with zincblende- and wurtzite-phase structures. Zincblende nanocrystals with particle sizes of 10-20 nm were produced using oleylamine as the solvent. When ethylenediamine was used as the solvent, similarly sized wurtzite nanocrystals with some degree of particle aggregation were formed. Use of a mixture o...

Cadmium selenide (CdSe) nanoplatelets of a few atomic layers thick exhibit extremely sharp photoluminescence peaks and are synthesized in the zinc blende crystal structure, whereas the most stable bulk polymorph of CdSe is the wurtzite structure. These platelets can be synthesized very monodispersely in thickness, and are covered with acetate ligands. Here, we show by means of density functiona...

the electronic and magnetic properties of the hypothetical compounds of mc (m=al, ga and in) are investigated by using first-principle calculations and pseudopotential plane wave self-consistent field method based on density functional theory. in order to find the most stable phase of mc (m=al, ga and in), we study them in zinc-blende (zb), rocksalt (rs), wurtzite and nias crystal structures. w...