Related papers: A first-principles systematic study of GaAs nanowi…
In this study, we use first-principles calculations to investigate the stacking-dependent electronic properties of GaSe/GaTe van der Waals heterobilayers. By analyzing five representative stacking configurations--AA, AA$'$, A$'$C, A$'$B,…
Semiconductor core$-$shell nanowires based on the GaAs substrate are building blocks of many photonic, photovoltaic and electronic devices, thanks to the associated direct band-gap and the highly tunable optoelectronic properties. The…
Based on first-principles calculations we showed that superlattices of periodically repeated junctions of hydrogen saturated silicon nanowire segments having different lengths and diameters form multiple quantum well structures. The band…
We investigate the effect of basal-plane stacking faults on the structural, electronic, and polarization properties of wurtzite GaN and ZnO. This theoretical study is performed within density-functional theory (DFT) using periodic hexagonal…
In this comprehensive study, we undertake a thorough theoretical examination of the electronic subband structures within cove-edged zigzag graphene nanoribbons (CZGNRs) using the tight-binding model. These unique nanostructures arise from…
One-dimensional (1D) nanostructures - nanowires (NWs) - exhibit promising properties for integration in different types of functional devices. Their properties can be enhanced even further or tuned for a specific application by combining…
The coalescence in dense arrays of spontaneously formed GaN nanowires proceeds by bundling: adjacent nanowires bend and merge at their top, thus reducing their surface energy at the expense of the elastic energy of bending. We give a…
Using first-principles density functional calculations, we have studied the structural stability of stoichiometric as well as non-stoichiometric CdS nanoclusters at ambient pressure with diameters ranging up to about 2.5 nm. Our study…
Using first principles calculations, we studied a new class of graphdiyne nanoribbons (GDYNR) with open hexagonal rings on the edges.To avoid the effects from dangling bond, hydrogen or oxygen atoms were absorbed on the edges. There are two…
We present an original approach to fabricate single GaAs/AlGaAs core-shell nanowire with robust and reproducible transport properties. The core-shell structure is buried in an insulating GaAs overlayer and connected as grown in a two probe…
The electronic and transport properties of hybrid armchair zigzag nanostructures including U-shaped graphene nanoribbons and patterned nanopores structured graphene were studied using combination of density functional theory and…
Nanobelts, nanoribbons and other quasi-one-dimensional nanostructures formed from layered, so-called, van der Waals semiconductors have garnered much attention due to their high-performance, tunable optoelectronic properties. For layered…
Single GaN nanowires formed spontaneously on a given substrate represent nanoscopic single crystals free of any extended defects. However, due to the high area density of thus formed GaN nanowire ensembles, individual nanowires coalesce…
Achieving uniform nanowire size, density, and alignment across a wafer is challenging, as small variations in growth parameters can impact performance in energy harvesting devices like solar cells and photodetectors. This study demonstrates…
The evolution of electronic structure of graphene nanoribbons (GNRs) as a function of the number of layers stacked together is investigated using \textit{ab initio} density functional theory (DFT) including interlayer van der Waals…
The luminescence and inner structure of GaAs-AlGaAs quantum well tube (QWT) nanowires were studied using low-temperature cathodoluminescence (CL) spectroscopic imaging, in combination with scanning transmission electron microscopy (STEM)…
We study structural and chemical transformations induced by focused laser beam in GaAs nanowires with axial zinc-blende/wurtzite (ZB/WZ) heterostucture. The experiments are performed using a combination of transmission electron microscopy,…
We report on the growth of axial InAs-on-GaAs nanowire heterostructures on silicon by molecular beam epitaxy using 20 nm diameter Au catalysts. First, the growth parameters of the GaAs nanowire segment were optimized to achieve a pure…
The atomic and electronic structure of a set of proposed thin (1.6 nm in diameter) silicon/silica quantum nanodots and nanowires with narrow interface, as well as parent metastable silicon structures (1.2 nm in diameter), was studied in…
We report an ab-initio investigation of several possible Si and Ge pristine nanowires with diameters between 0.5 and 1.2 nm. We considered nanowires based on the diamond structure, high-density bulk structures, and fullerene-like…