We study the three-dimensional deformation field induced by an axial (In,Ga)N segment in a GaN nanowire. Using the finite element method within the framework of linear elasticity theory, we study the dependence of the strain field on the ratio of segment length and nanowire radius. Contrary to intuition, the out-of-plane-component of the elastic strain tensor is found to assume large negative values for a length-to-radius ratio close to one. We show that this unexpected effect is a direct consequence of the deformation of the nanowire at the free sidewalls and the associated large shear strain components. Simulated reciprocal space maps of a single (In,Ga)N/GaN nanowire demonstrate that nanofocus x-ray diffraction is a suitable technique to assess this peculiar strain state experimentally.
We calculate the thermoelectric figure of merit, zT=S^2GT/(κ_l+κ_e), for p-type Si nanowires with axial Ge heterostructures using a combination of first-principles density-functional theory, interatomic potentials, and Landauer-Buttiker transport theory. We consider nanowires with up to 8400 atoms and twelve Ge axial heterostructures along their length. We find that introducing heterostructures always reduces S^2G, and that our calculated increases in zT are predominantly driven by associated decreases in κ_l. Of the systems considered, <111> nanowires with a regular distribution of Ge heteros…
The addition of boron to GaAs nanowires grown by self-catalyzed molecular beam epitaxy was found to have a strong effect on the nanowire morphology, with axial growth greatly reduced as the nominal boron concentration was increased. Transmission electron microscopy measurements show that the Ga catalyst droplet was unintentionally consumed during growth. Concurrent radial growth, a rough surface morphology and tapering of nanowires grown under boron flux suggest that this droplet consumption is due to reduced Ga adatom diffusion on the nanowire sidewalls in the presence of boron. Modelling of …
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 wurtzite crystal structure. Then, we developed a two-step growth procedure to enhance the yield of vertical InAs-on-GaAs nanowires. We achieved 90% of straight InAs-on-GaAs nanowires by further optimizing the growth parameters. We investigated the composition change at the interface by energy dispersive X-ray spectroscopy and the nanowire crystal structure by tra…
The article presents a mapping of the residual strain along the axis of InAs/InSb heterostructured nanowires. Using confocal Raman measurements, we observe a gradual shift in the TO phonon mode along the axis of these nanowires. We attribute the observed TO phonon shift to a residual strain arising from the InAs/InSb lattice mismatch. We find that the strain is maximum at the interface and then monotonically relaxes towards the tip of the nanowires. We also analyze the crystal structure of the InSb segment through selected area electron diffraction measurements and electron diffraction tomogra…
Bi-containing III-V semiconductors constitute an exciting class of metastable compounds with wide-ranging potential optoelectronic and electronic applications. However, the growth of III-V-Bi alloys requires group-III-rich growth conditions, which pose severe challenges for planar growth. In this work, we exploit the naturally-Ga-rich environment present inside the metallic droplet of a self-catalyzed GaAs nanowire to synthesize metastable GaAs/GaAs$_{1-\text{x}}$Bi$_{\text{x}}$ axial nanowire heterostructures with high Bi contents. The axial GaAs$_{1-\text{x}}$Bi$_{\text{x}}$ segments are rea…
Controlling the strain level in nanowire heterostructures is critical for obtaining coherent interfaces of high crystalline quality and for the setting of functional properties such as photon emission, carrier mobility or piezoelectricity. In a nanowire axial heterostructure featuring a sharp interface, strain is set by the materials lattice mismatch and the nanowire radius. Here, we show that introducing a graded interface in nanowire heterostructures offers an additional parameter to control strain. For a given interface length and lattice mismatch, we first derive theoretically the maximum …
Ab-initio calculations within Density Functional Theory combined with experimental Raman spectra on cluster-beam deposited pure carbon films provide a consistent picture of sp-carbon chains stabilized by sp^3 or sp^2 terminations, the latter being sensitive to torsional strain. This unexplored effect promises many exciting applications since it allows one to modify the conductive states near the Fermi level and to switch on and off the on-chain pi-electron magnetism.
(In,Ga)N insertions embedded in self-assembled GaN nanowires are of current interest for applications in solid state light emitters. Such structures exhibit a notoriously broad emission band. We use cathodoluminescence spectral imaging in a scanning electron microscope and micro-photoluminescence spectroscopy on single nanowires to learn more about the mechanisms underlying this emission. We observe a shift of the emission energy along the stack of six insertions within single nanowires that may be explained by compositional pulling. Our results also corroborate reports that the localization o…
Diffusion-enhanced and desorption-limited growth regimes of Ga-assisted GaAs nanowires were identified. In the latter regime, the number of vertical NWs with a narrow length distribution was increased by raising the growth temperature. The maximum axial growth rate; which can be quantified by the supplied rate of As atoms, is achieved when a dynamical equilibrium state is maintained in Ga droplets i.e. the number of impinging As atoms on the droplet surface is equivalent to that of direct deposited Ga atoms combining with the diffusing ones. The contribution of Ga diffusion to the wire growth …
Hybrid silicon nanowires with an integrated light-emitting segment can significantly advance nanoelectronics and nanophotonics. They would combine transport and optical characteristics in a nanoscale device, which can operate in the fundamental single-electron and single-photon regime. III-V materials, such as direct bandgap gallium-arsenide, are excellent candidates for such optical segments. However, interfacing them with silicon during crystal growth is a major challenge, because of the lattice mismatch, different expansion coefficients and the formation of anti-phase boundaries. Here, we d…
Deformation properties of multi-wall gold nanowires under compressive loading are studied. Nanowires are simulated using a realistic many-body potential. Simulations start from cylindrical fcc(111) structures at T=0 K. After annealing cycles axial compression is applied on multi-shell nanowires for a number of radii and lengths at T=300 K. Several types of deformation are found, such as large buckling distortions and progressive crushing. Compressed nanowires are found to recover their initial lengths and radii even after severe structural deformations. However, in contrast to carbon nanotubes…
Monolithic axial InGaAs quantum dot emitters in GaAs-based nanowires via Sb-mediated facet engineering
Walter Schottky Institute, TUM School of Natural Sciences, Technical University of Munich（慕尼黑工业大学沃尔特·施科特基研究所自然科学学院）；Institute for Physics and Astronomy, Technical University Berlin（柏林工业大学物理与天文学研究所）；Department of Chemistry, Ludwig-Maximilians-University of Munich（慕尼黑大学化学系）；Walter Schottky Institute, TUM School of Computation, Information and Technology, Technical University of Munich（慕尼黑工业大学沃尔特·施科特基研究所计算、信息与技术学院）；Department of Physics, University of California, Berkeley（加州大学伯克利分校物理系）
Nanowire devices have long been proposed as an efficient alternative to their planar counterparts for different optoelectronic applications. Unfortunately, challenges related to the growth and characterization of doping and p-n junction formation in nanowire devices (along axial or radial axis) have significantly impeded their development. The problems are further amplified if a p-n junction has to be implemented radially. Therefore, even though radial junction devices are expected to be on par with their axial junction counterparts, there are minimal reports on high-performance radial junctio…
We have investigated the vibrational density of states (VDOS) of a thin Cu nanowire with $<100>$ axial orientation and considered the effect of axial strain. The VDOS are calculated using a real space Green's function approach with the force constant matrices extracted from interaction potential based on the embedded atom method. Results for the vibrational density of states of a strain-free nanowire show quite distinctive characteristics compared to that of a bulk atom, the most striking feature of which is the existence of high frequency modes above the top of the bulk spectrum. We further p…
Straight, axial InAs nanowire with multiple segments of GaInAs were grown. High resolution X-ray energy-dispersive spectroscopy (EDS) mapping reveal the distribution of group III atoms at the axial interfaces and at the sidewalls. Significant Ga enrichment, accompanied by a structural change is observed at the GaInAs/InAs interfaces and a higher Ga concentration for the early grown GaInAs segments. The elemental map and EDS line profile infer Ga enrichment at the facet junctions between the sidewalls. The relative chemical potentials of ternary alloys and the thermodynamic driving force for li…
Core-shell nanowires made of Si and Ge can be grown experimentally with excellent control for different sizes of both core and shell. We have studied the structural properties of Si/Ge and Ge/Si core-shell nanowires aligned along the $[110]$ direction, with diameters up to 10.2~nm and varying core to shell ratios, using linear scaling Density Functional Theory (DFT). We show that Vegard's law, which is often used to predict the axial lattice constant, can lead to an error of up to 1\%, underlining the need for a detailed \emph{ab initio} atomistic treatment of the nanowire structure. We analys…
We show that shaped topological insulator (TI) nanowires, i.e. such that their cross-section radius varies along the wire length, can be tuned into a number of different transport regimes when immersed in a homogeneous coaxial magnetic field. This is in contrast with widely studied tubular nanowires with constant cross-section, and is due to magnetic confinement of Dirac surface carriers. In flat 2D systems such a confinement requires non-homogeneous magnetic fields, while for shaped nanowires of standard size homogeneous fields of the order of $B\sim\,1$T are sufficient. We put recent work [K…
We observe a systematic red shift of the band-edge of passivated GaAs/Al0.35Ga0.65As core-shell nanowires with increasing shell thickness up to 100 nm. The shift is detected both in emission and absorption experiments, reaching values up to 14 meV for the thickest shell nanowires. Part of this red shift is accounted for by the small tensile strain imposed to the GaAs core by the AlGaAs shell, in line with theoretical calculations. An additional contribution to this red shift arises from axial piezoelectric fields which develop inside the nanowire core due to Al fluctuations in the shell.
The aim of this comment is to show that anisotropic effects and image fields should not be omitted as they are in the publication of A. Leonardi, S. Ryu, N. M. Pugno, and P. Scardi (LRPS) [J. Appl. Phys. 117, 164304 (2015)] on Pd <011> cylindrical nanowires containing an axial screw dislocation. Indeed, according to our previous study [Phys. Rev. B 88, 224101 (2013)], the axial displacement field along the nanowire exhibits both a radial and an azimuthal dependence with a twofold symmetry due the <011> orientation. As a consequence, the deviatoric strain term used by LRPS is not suitable to an…
GaN nanowire ensembles with axial InGaN multi-quantum wells (MQWs) were grown by molecular beam epitaxy. In a series of samples, we varied the In content in the MQWs from almost zero to about 20%. Within the nanowire ensemble, the MQWs fluctuate strongly in composition and size. Statistical information about the composition was obtained from x-ray diffraction and Raman spectroscopy. Photoluminescence at room temperature was obtained in the range from 2.2 eV to 2.5 eV depending on In content. Contrary to planar MQWs, the intensity increases with increasing In content. We compare the observed em…
We have characterized the photodetection capabilities of single GaN nanowires incorporating 20 periods of AlN/GaN:Ge axial heterostructures enveloped in an AlN shell. Transmission electron microscopy confirms the absence of an additional GaN shell around the heterostructures. In the absence of a surface conduction channel, the incorporation of the heterostructure leads to a decrease of the dark current and an increase of the photosensitivity. A significant dispersion in the magnitude of dark currents for different single nanowires is attributed to the coalescence of nanowires with displaced na…
Self-selective growth of GaAs1-xBix on GaAs zinc blende/wurtzite nanowire heterostructures
Lund University（隆德大学）；NanoLund, Lund University（隆德大学纳米隆德）；Centre for Analysis and Synthesis, Lund University（隆德大学分析与合成中心）；MAX IV Laboratory, Lund University（隆德大学MAX IV实验室）；Niels Bohr Institute, University of Copenhagen（哥本哈根大学尼尔斯玻尔研究所）
We report on a detailed study of the intensity dependent optical properties of individual GaN/AlN Quantum Disks (QDisks) embedded into GaN nanowires (NW). The structural and optical properties of the QDisks were probed by high spatial resolution cathodoluminescence (CL) in a scanning transmission electron microscope (STEM). By exciting the QDisks with a nanometric electron beam at currents spanning over 3 orders of magnitude, strong non-linearities (energy shifts) in the light emission are observed. In particular, we find that the amount of energy shift depends on the emission rate and on the …
The behavior of shape memory alloy (SMA) nanostructures is influenced by strain rate and temperature evolution during dynamic loading. The coupling between temperature, strain and strain rate effects is essential to capture inherent thermo-mechanical behavior in SMAs. In this paper, we propose a new fully coupled thermo-mechanical 3D phase-field model that accounts for two-way coupling between mechanical (or structural) and thermal physics. The 3D model provides a realistic description of the properties of SMAs nanostructures. We use the strain-based Ginzburg-Landau potential for cubic-to-tetr…
We present a machine learning based model that can predict the electronic structure of quasi-one-dimensional materials while they are subjected to deformation modes such as torsion and extension/compression. The technique described here applies to important classes of materials such as nanotubes, nanoribbons, nanowires, miscellaneous chiral structures and nano-assemblies, for all of which, tuning the interplay of mechanical deformations and electronic fields is an active area of investigation in the literature. Our model incorporates global structural symmetries and atomic relaxation effects, …
