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 gap of the superlattice is modulated in real space as its diameter does and results in a band gap in momentum space which is different from constituent nanowires. Specific electronic states can be confined in either narrow or wide regions of superlattice. The type of the band lineup and hence the offsets of valence and conduction bands depend on the orientation of the superlattice as well as on the diameters of the constituent segments. Effects of the SiH vacancy and substitutional impurities on the electronic and magnetic properties have been investigated by carrying out spin-polarized calculations. Substitutional impurities with localized states near band edges can make modulation doping possible. Stability of the superlattice structure was examined by ab initio molecular dynamics calculations at high temperatures.
We have shown theoretically that a combination of cross-section modulation and acoustic mismatch in the core-shell Si/Ge nanowires can lead to a drastic reduction of the thermal conductivity. Our calculations, which utilized two different models - five-parameter Born-von Karman and six-parameter valence-force field - for the lattice vibrations, indicate that the room temperature thermal conductivity of Si/Ge cross-section modulated nanowires is almost three orders of magnitude lower than that of bulk Si. Thermal flux in the modulated nanowires is suppressed by an order of magnitude in comparis…
Using Brillouin light scattering spectroscopy and dynamical matrix method calculations, we study collective spin waves in dense arrays of periodically double-side width-modulated Permalloy nanowires. Width modulation is achieved by creating a sequence of triangular notches on the two parallel nanowire sides, with a periodicity of p=1000 nm, and tunable relative displacement (D) of the notches sequence on the two lateral sides. Both symmetric (D=0) and asymmetric (D= 250 and 500 nm) width-modulated nanowires were investigated. We have found that the detected modes have Bloch-type character and …
Domain wall propagation in modulated-diameter cylindrical nanowires is a key phenomenon to be studied with a view to designing three-dimensional magnetic memory devices. This paper presents a theoretical study of transverse domain wall behavior under the influence of a magnetic field within a cylindrical nanowire with diameter modulations. In particular, domain wall pinning close to the diameter modulation was quantified, both numerically, using finite element micromagnetic simulations, and analytically. Qualitative analytical model for gently sloping modulations resulted in a simple scaling l…
We have experimentally and numerically investigated the dispersion of collective spin waves prop-agating through arrays of longitudinally magnetized nanowires with periodically modulated width. Two nanowire arrays with single-side modulation and different periodicity of modulation were studied and compared to the nanowires with homogeneous width. The spin-wave dispersion, meas-ured up to the third Brillouin zone of the reciprocal space, revealed the presence of two dispersive modes for the width-modulated NWs, whose amplitude of magnonic band depends on the modula-tion periodicity, and a set o…
Theoretically core-multishell nanowires under a cross-section of hexagonal geometry should exhibit peculiar confinement effects. Using a hard X-ray nanobeam, here we show experimental evidence for carrier localization phenomena at the hexagon corners by combining synchrotron excited optical luminescence with simultaneous X-ray fluorescence spectroscopy. Applied to single coaxial n-GaN/InGaN multiquantum-well/p-GaN nanowires, our experiment narrows the gap between optical microscopy and high-resolution X-ray imaging, and calls for further studies on the underlying mechanisms of optoelectronic n…
Electronic structures for InxGa1-xAs nanowires with [100], [110], and [111] orientations and critical dimensions of approximately 2 nm are treated within the framework of density functional theory. Explicit band structures are calculated and properties relevant to nanoelectronic design are extracted including band gaps, effective masses, and density of states. The properties of these III-V nanowires are compared to silicon nanowires of comparable dimensions as a reference system. In nonpolar semiconductors, quantum confinement and surface chemistry are known to play a key role in the determina…
Resonant Raman spectroscopy is realized on closely spaced nanowire based quantum wells. Phonon quantization consistent with 2.4 nm thick quantum wells is observed, in agreement with cross-section transmission electron microscopy measurements and photoluminescence experiments. The creation of a high density plasma within the quantized structures is demonstrated by the observation of coupled plasmon-phonon modes. The density of the plasma and thereby the plasmon-phonon interaction is controlled with the excitation power. This work represents a base for further studies on confined high density ch…
We simulate the electron transport in vertical bi-layer nanowire which can be fabricated in molecular beam epitaxy process with lateral confinement potential formed by means of cleaved overgrowth or surface oxidization methods giving rectangular and smooth side confinement, respectively. In calculations we take into account interaction between charge carriers using DFT within local spin density approximation. If magnetic field is perpendicular to the wire axis, pseudogaps are opened in energy dispersion relation E(k) what in conjunction with spin Zeeman shift of spin-up and spin-down subbands …
Semiconductor nanowires with strong Rashba spin-orbit coupling are currently on the spotlight of several research fields such as spintronics, topological materials and quantum computation. While most theoretical models assume an infinitely long nanowire, in actual experimental setups the nanowire has a finite length, is contacted to metallic electrodes and is partly covered by gates. By taking these effects into account through an inhomogeneous spin-orbit coupling profile, we show that in general two types of bound states arise in the nanowire, namely confinement bound states and interface bou…
We report electrical conductance and thermopower measurements on InAs nanowires synthesized by chemical vapor deposition. Gate modulation of the thermopower of individual InAs nanowires with diameter around 20nm is obtained over T=40 to 300K. At low temperatures (T< ~100K), oscillations in the thermopower and power factor concomitant with the stepwise conductance increases are observed as the gate voltage shifts the chemical potential of electrons in InAs nanowire through quasi-one-dimensional (1D) sub-bands. This work experimentally shows the possibility to modulate semiconductor nanowire's t…
We analyze the confinement of electronic surface states in a model of a topological insulator nanowire. Spin-momentum locking in the surface states reduces unwanted backscattering in the presence of non-magnetic disorder and is known to counteract localization for certain values of magnetic flux threading the wire. We show that intentional backscattering can be induced for a range of conditions in the presence of a nanowire constriction. We propose a geometry for a nanowire that involves two constrictions and show that these regions form effective barriers that allow for the formation of a qua…
Synchronization has been reported for a wide range of self-oscillating systems. However, even though it has been predicted theoretically for several decades, the experimental realization of phase self-oscillation, sometimes called phase trapping, in the high driving regime has been studied only recently. We explored in detail the phase dynamics in a synchronized field emission SiC nanoelectromechanical system with intrinsic feedback. A richer variety of phase behavior has been unambiguously identified, implying phase modulation and inertia. This synchronization regime is expected to have impli…
Using a one-dimensional tight-binding Anderson model, we study a disordered nanowire in the presence of an external gate which can be used for depleting its carrier density (field effect transistor device configuration). In this first paper, we consider the low temperature coherent regime where the electron transmission through the nanowire remains elastic. In the limit where the nanowire length exceeds the electron localization length, we derive three analytical expressions for the typical value of the thermopower as a function of the gate potential, in the cases where the electron transport …
In a recent work [C. Chevalier, B. M. Wong, Comput. Phys. Commun. ${\bf 274}$, 108299 (2022); arXiv: 2203.05233 [cond-mat.mes-hall]] the interesting and popular problem was considered. Authors attempted to solve the self-consistent Schrödinger-Poisson problem for an effective mass electron in a core-shell semiconductor nanowire. The corresponding MATLAB-based software package was presented. However, an incorrect solution of the Schrödinger equation invalidates the whole result. Here we point out the corresponding error and possible ways to fix it.
In this paper we show how to link the electronic structures of two III-V systems, one a direct gap material, GaAs, and the other an indirect gap material, GaP, from their bulks right down to the shape of thin nanowires. GaAs and GaP bulk and nanowire systems are studied in the zincblende and wurtzite structures both free of strain and subjected to biaxial strains perpendicular to the [111]/[0001] direction. We provide an interpretation of the band structure of nanowires, grown along the [111] (zinc-blende structure) and the [0001] (wurtzite structure) directions, in terms of the bulk band stru…
We consider the possibility of observing continuous third-harmonic generation using a strongly driven, single-band one-dimensional metal. In the absence of scattering, the quantum efficiency of frequency tripling for such a system can be as high as 93%. Combining the Floquet quasi-energy spectrum with the Keldysh Green's function technique, we derive the semiclassical master equation for a one-dimensional band of strongly and rapidly driven electrons in the presence of weak scattering by phonons. The power absorbed from the driving field is continuously dissipated by phonon modes, leading to a…
We study the phenomenon of adiabatic quantum charge pumping in systems supporting fractionally charged fermionic bound states, in two different setups. The first quantum pump setup consists of a charge-density-modulated quantum wire, and the second one is based on a semiconducting nanowire with Rashba spin-orbit interaction, in the presence of a spatially oscillating magnetic field. In both these quantum pumps transport is investigated in a N-X-N geometry, with the system of interest (X) connected to two normal-metal leads (N), and the two pumping parameters are the strengths of the effective …
Diameter-modulated nanowires offer an important paradigm to design the magnetization response of 3D magnetic nanostructures by engineering the domain wall pinning. With the aim to understand its nature and to control the process, we analyze the magnetization response in FeCo modulated polycrystalline two-segment nanowires varying the minor diameter. Our modelling indicates a very complex behavior with a strong dependence on the disorder distribution and an important role of topologically non-trivial magnetization structures. We demonstrate that modulated nanowires with a small diameter differe…
InGaAs gate-all-around nanowire MOSFETs with channel length down to 50nm have been experimentally demonstrated by top-down approach. The nanowire size-dependent transport properties have been systematically investigated. It is found that reducing nanowire dimension leads to higher on-current, transconductance and effective mobility due to stronger quantum confinement and the volume inversion effect. TCAD quantum mechanical simulation has been carried out to study the inversion charge distribution inside the nanowires. Volume inversion effect appears at a larger dimension for InGaAs nanowire MO…
It is suggested that low dimensionality can improve the thermoelectric (TE) power factor of a device, offering an enhancement of the ZT figure of merit. In this work the atomistic sp3d5s*-spin-orbit-coupled tight-binding model and the linearized Boltzmann transport theory is applied to calculate the room temperature electrical conductivity, Seebeck coefficient, and power factor of narrow 1D silicon nanowires (NWs). We present a comprehensive analysis of the thermoelectric coefficients of n-type and p-type NWs of diameters from 12nm down to 3nm, in [100], [110], and [111] transport orientations…
The three dimensional carrier confinement in GaN nanodiscs embedded in GaN/AlGaN nanowires and its effect on their photoluminescence properties is analyzed for Al concentrations between x = 0.08 and 1. Structural analysis by high resolution transmission electron microscopy reveals the presence of a lateral AlGaN shell due to a composition dependent lateral growth rate of the barrier material. The structural properties are used as input parameters for three dimensional numerical simulations of the confinement which show that the presence of the AlGaN shell has to be considered to explain the ob…
Electronic structure of bismuth telluride nanowires with the growth directions [110] and [015] is studied in the framework of anisotropic effective mass method using the parabolic band approximation. The components of the electron and hole effective mass tensor for six valleys are calculated for both growth directions. For a square nanowire, in the temperature range from 77 K to 500 K, the dependence of the Seebeck coefficient, the electron thermal and electrical conductivity as well as the figure of merit ZT on the nanowire thickness and on the excess hole concentration are investigated in th…
We explore theoretically the influence of Fano interference in the so-called Majorana oscillations in a T-shaped hybrid setup formed by a quantum dot (QD) placed between conducting leads and side-coupled to a topological superconducting nanowire (TSNW) hosting zero-energy Majorana bound states (MBSs) at the ends. Differential conductance as a function of the external magnetic field reveals oscillatory behavior. Both the shape and amplitude of the oscillations depend on the bias-voltage, degree of MBSs non-locality and Fano parameter of the system determining the regime of interference. When th…
For semimetal nanowires with diameters smaller than a few tens of nanometers, a semimetal-to-semiconductor transition is observed as the emergence of an energy band gap resulting from quantum confinement. Quantum confinement in a semimetal results in either lifting of the degeneracy of the conduction and valence bands in a zero gap semimetal, or shifting of bands with a negative energy overlap to form conduction and valence bands. For semimetal nanowires with diameters below 10 nanometer, the magnitude of the band gap can become significantly larger than the thermal energy at room temperature …
Strong radial confinement in semiconductor nanowires leads to modified electronic and phononic energy spectra. We analyze the current response to the interplay between quantum confinement effects of the electron and phonon systems in a gate-defined double quantum dot in a semiconductor nanowire. We show that current spectroscopy of inelastic transitions between the two quantum dots can be used as an experimental probe of the confined phonon environment. The resulting discrete peak structure in the measurements is explained by theoretical modeling of the confined phonon mode spectrum, where the…
We report first principles density functional calculations of electronic structures and energy bandgaps ($ΔE_g$) in PbS nanowires (NW). The $ΔE_g$ is tuned by varying the diameter of the NW - {\it revealing the role of quantum confinement}. The compressive radial strain (CS) on the NW is shown to be responsible for semiconducting to metallic phase transition. The conduction band (CB) of the NW, which has significant contribution from the excited 3{\it d}-orbital of S, is found to be more sensitive to the CS with the CB minimum shifting towards and eventually crossing the Fermi energy with incr…
Effects of phonon confinement on electron transport in Si nanowire and armchair-edge graphene nanoribbon transistors: A dissipative quantum-transport study
A one-dimensional spin-orbit coupled nanowire with proximity-induced pairing from a nearby s-wave superconductor may be in a topological nontrivial state, in which it has a zero energy Majorana bound state at each end. We find that the topological trivial phase may have fermionic end states with an exponentially small energy, if the confinement potential at the wire's ends is smooth. The possible existence of such near-zero energy levels implies that the mere observation of a zero-bias peak in the tunneling conductance is not an exclusive signature of a topological superconducting phase even i…
In this paper, we develop an explicit model to predict the DC electrical behavior in ultra-thin surrounding gate junctionless nanowire FET. The proposed model takes into account 2D electrical and geometrical confinements of carrier charge density within few discrete sub-bands. Combining a parabolic approximation of the Poisson equation, first order perturbation theory for the Schrodinger subband energy eigenvalues, and Fermi-Dirac statistics for the confined carrier density leads to an explicit solution of the DC characteristic in ultra-thin junctionless devices. Validity of the model has been…
We study normal transport and the sub-gap spectrum of superconductor-normal-superconductor (SNS) junctions made of semiconducting nanowires with strong Rashba spin-orbit coupling. We focus, in particular, on the role of confinement effects in long ballistic junctions. In the normal regime, scattering at the two contacts gives rise to two distinct features in conductance, Fabry-Perot resonances and Fano dips. The latter arise in the presence of a strong Zeeman field $B$ that removes a spin sector in the leads (\emph{helical} leads), but not in the central region. Conversely, a helical central r…
The role of graded interfaces between materials in a cylindrical free-standing quantum wire with longitudinal heterostructures is theoretically investigated, by solving the Schrödinger equation within the effective mass approximation. Previous work on such wires with abrupt interfaces have predicted that, as the wire radius is reduced, the effective potential along the growth direction is altered and might lead to a carrier confinement at the barriers, as in a type-II system. Our results show that when graded interfaces are considered, such potential acquires a peculiar form, which presents cu…
We used density-functional theory based first principles simulations to study the effects of uniaxial strain and quantum confinement on the electronic properties of germanium nanowires along the [110] direction, such as the energy gap and the effective masses of the electron and hole. The diameters of the nanowires being studied are up to 50 Å. As shown in our calculations, the Ge [110] nanowires possess a direct band gap, in contrast to the nature of an indirect band gap in bulk. We discovered that the band gap and the effective masses of charge carries can be modulated by applying uniaxial s…
We study the thermopower of a disordered nanowire in the field effect transistor configuration. After a first paper devoted to the elastic coherent regime (Bosisio R., Fleury G. and Pichard J.-L. 2014 \textit{New J. Phys.} \textbf{16} 035004), we consider here the inelastic activated regime taking place at higher temperatures. In the case where charge transport is thermally assisted by phonons (Mott Variable Range Hopping regime), we use the Miller-Abrahams random resistor network model as recently adapted by Jiang et al. for thermoelectric transport. This approach previously used to study the…
We establish a method to produce cylindrical magnetic nanowires displaying several segments, with a large versatility in terms of segment diameter and length. It is based on electroplating in alumina templates, the latter being prepared by several steps of anodization, wet etching and atomic layer deposition to produce, widen or shrink pores, respectively. We propose an analytical model to analyze the in-plane and out-of-plane magnetization loops of dense assemblies of multisegmented wires. The model considers inter-wires dipolar fields, end-domain curling and predicts the switching field of i…
We theoretically investigate the role of the dielectric mismatch between materials on the energy levels and recombination energies of a core-shell nanowire. Our results demonstrate that when the dielectric constant of the core material is lower than that of the shell material, the self-image potential pushes the charge carriers towards the core-shell interface, in such a way that the ideal confinement model is no longer suitable. The effects of this interfacial confinement on the electronic properties of such wires, as well as on its response to applied magnetic fields, are discussed.
Similar to electron waves, the phonon states in semiconductors can undergo changes induced by external boundaries. Modification of acoustic phonon spectrum in structures with periodically modulated elastic constant or mass density - referred to as phononic crystals - has been proven experimentally and utilized in practical applications. A possibility of modifying acoustic phonon spectrum in individual nanostructures via spatial confinement would bring tremendous benefits for controlling phonon-electron interaction and thermal conduction at nanoscale. However, despite strong scientific and prac…
Structures and electronic properties of rhombohedral [111] and [110] bismuth nanowires are calculated with the use of density functional theory. The formation of an energy band gap from quantum confinement is studied and to improve estimates for the band gap the GW approximation is applied. The [111] oriented nanowires require surface bonds to be chemically saturated to avoid formation of metallic surface states whereas the surface of the [110] nanowires do not support metallic surface states. It is found that the onset of quantum confinement in the surface passivated [111] nanowires occurs at…
We report the colloidal synthesis of strongly fluorescent CsPbBr3 perovskite nanowires (NWs) with rectangular section and with tuneable width, from 20 nm (exhibiting no quantum confinement, hence emitting in the green) down to around 3 nm (in the strong quan-tum-confinement regime, emitting in the blue), by introducing in the synthesis a short acid (octanoic acid or hexanoic acid) together with alkyl amines (octylamine and oleylamine). Temperatures below 70 °C promoted the formation of monodisperse, few unit cell thick NWs that were free from byproducts. The photoluminescence quantum yield of …
We present an open-source software package, HADOKEN (High-level Algorithms to Design, Optimize, and Keep Electrons in Nanowires), for predicting electron confinement/localization effects in nanowires with various geometries, {arbitrary number of concentric shell layers,} doping densities, and external boundary conditions. The HADOKEN code is written in the MATLAB programming environments to aid in its readability and general accessibility to both users and practitioners. We provide several examples and outputs on a variety of different nanowire geometries, boundary conditions, and doping densi…
An analytical model of the spin-diode effect induced by resonant spin-transfer torque in a ferromagnetic bilayer with strong dipolar coupling provides the resonance frequencies and the lineshapes of the magnetic field spectra obtained under field or laser-light modulation. The effect of laser irradiation is accounted for by introducing the temperature dependence of the saturation magnetization and anisotropy, as well as thermal spin-transfer torques. The predictions of the model are compared with experimental data obtained with single Co/Cu/Co spin valves, embedded in nanowires and produced by…
The bandstructures of [110] and [001] Bi2Te3 nanowires are solved with the atomistic 20 band tight binding functionality of NEMO5. The theoretical results reveal: The popular assumption that all topological insulator wire surfaces are equivalent is inappropriate. The Fermi velocity of chemically distinct wire surfaces differs significantly which creates an effective in-surface confinement potential. As a result, topological insulator surface states prefer specific surfaces. Therefore, experiments have to be designed carefully not to probe surfaces unfavorable to the surface states (low density…
We study the effect of confinement on the phonon properties of ultra-narrow silicon nanowires of side sizes of 1-10nm . We use the modified valence force field method to compute the phononic dispersion, and extract the density of states, the transmission function, the sound velocity, the ballistic thermal conductance and boundary scattering-limited diffusive thermal conductivity. We find that the phononic dispersion and the ballistic thermal conductance are functions of the geometrical features of the structures, i.e. the transport orientation and confinement dimension. The phonon group veloci…
Magnetic texture modulated superconductivity in superconductor/ferromagnet shells of semiconductor nanowires
Stanford University（斯坦福大学）；SLAC National Accelerator Laboratory（SLAC国家加速器实验室）；Niels Bohr Institute, University of Copenhagen（哥本哈根大学尼尔斯·玻尔研究所）；Universidad de Chile（智利大学）；Danish Fundamental Metrology（丹麦基础计量）；Universidad de Santiago de Chile（圣地亚哥德智利大学）
Confining two dimensional Dirac fermions on the surface of topological insulators has remained an outstanding conceptual challenge. Here we show that Dirac fermion confinement is achievable in topological crystalline insulators (TCI), which host multiple surface Dirac cones depending on the surface termination and the symmetries it preserves. This confinement is most dramatically reflected in the flux dependence of these Dirac states in the nanowire geometry, where different facets connect to form a closed surface. Using SnTe as a case study, we show how wires with all four facets of the <100>…
We determine the optimal conditions to achieve topological superconducting phases having spin-singlet pairing for a planar nanowire with finite lateral width in the presence of an in-plane external magnetic field. We employ a microscopic description that is based on a three-band electronic model including both the atomic spin-orbit coupling and the inversion asymmetric potential at the interface between oxide band-gap insulators. We consider amplitudes of the pairing gap, spin-orbit interactions and electronic parameters that are directly applicable to nanowires of LaAlO$_3$-SrTiO$_3$. The lat…
Micro-Raman scattering and electron field emission characteristics of silicon nanowires (SiNWs) synthesized by metal assisted chemical etching (MACE) are investigated. Scanning electron microscopy images reveal the growth of well aligned vertical SiNWs. Raman shift and size relation from bond-polarizability model has been used to calculate exact confinement sizes in SiNWs. The Si optical phonon peak for SiNWs showed a downshift and an asymmetric broadening with decreasing diameter of the SiNWs due to quantum confinement of optical phonons. The field emission characteristics of these SiNWs are …
We calculated the effects of spin-orbit interaction (SOI) on the energy bands, ballistic conductance and the electron-diffusion thermoelectric power of a nanowire by varying the temperature, electron density and width of the wire. The potential barriers at the edges of the wire are assumed to be very high. A consequence of the boundary conditions used in this model is determined by the energy band structure, resulting in wider plateaus when the electron density is increased due to larger energy-level separation as the higher subbands are occupied by electrons. The nonlinear dependence of the t…
It is well-known that in bulk, the solution of the Bogoliubov-de Gennes equations is the same whether or not the Hartree-Fock term is included. Here the Hartree-Fock potential is position independent and, so, gives the same contribution to both the single-electron energies and the Fermi level (the chemical potential). Thus, the single-electron energies measured from the Fermi level (they control the solution) stay the same. It is not the case for nanostructured superconductors, where quantum confinement breaks the translational symmetry and results in a position dependent Hartree-Fock potentia…
We present the direct observation of magnetic domain motion in permalloy nanowires with notches using a wide-field Kerr microscopy technique. The domain wall motion can be modulated by the size and shape of the notch structure in the nanowires. It is demonstrated that the coercive fields can be tuned by modulating the notches. The experimental results are consistent with the micro-magnetic simulation results. The relationship between the notch angle and the domain nuclease are also studied. This work is useful for the design and development of the notch-based spintronic devices.
We present measurements of Shubnikov-de Haas oscillations in arrays of bismuth nanowires with diameters comparable to the Fermi wavelength. For 80-nm wires the hole concentration is less than 30% of that for bulk Bi, consistent with current models of quantum confinement effects. However, 30-nm wires nanowires which are predicted to be a semiconducting show a nearly isotropic short period of 0.025 T-1, consistent with a heavy carrier concentration five times that of bulk Bi. These results are discussed in terms of surface-induced charge carriers in a spherical Fermi surface pocket that are unif…
We report on magneto-transport measurements in InAs nanowires under large magnetic field (up to 55T), providing a direct spectroscopy of the 1D electronic band structure. Large modulations of the magneto-conductance mediated by an accurate control of the Fermi energy reveal the Landau fragmentation, carrying the fingerprints of the confined InAs material. Our numerical simulations of the magnetic band structure consistently support the experimental results and reveal key parameters of the electronic confinement.
Strain modulated electronic properties of Si/Ge core-shell nanowires along [110] direction were reported based on first principles density-functional theory calculations. Particularly, the energy dispersion relationship of the conduction/valence band was explored in detail. At the Γ point, the energy levels of both bands are significantly altered by applied uniaxial strain, which results in an evident change of band gap. In contrast, for the K vectors far away from Γ, the variation of the conduction/valence band with strain is much reduced. In addition, with a sufficient tensile strain (~1%), …
Phonon dispersions in <100> silicon nanowires (SiNW) are modeled using a Modified Valence Force Field (MVFF) method based on atomistic force constants. The model replicates the bulk Si phonon dispersion very well. In SiNWs, apart from four acoustic like branches, a lot of flat branches appear indicating strong phonon confinement in these nanowires and strongly affecting their lattice properties. The sound velocity (Vsnd) and the lattice thermal conductance (kl) decrease as the wire cross-section size is reduced whereas the specific heat (Cv) increases due to increased phonon confinement and su…
We investigate the effects of electron and acoustic-phonon confinement on the low-field electron mobility of thin square silicon nanowires (SiNWs) that are surrounded by SiO$_2$ and gated. We employ a self-consistent Poisson-Schrödinger-Monte Carlo solver that accounts for scattering due to acoustic phonons (confined and bulk), intervalley phonons, and the Si/SiO$_2$ surface roughness. The wires considered have cross sections between 3 $\times$ 3 nm$^2$ and 8 $\times$ 8 nm$^2$. For larger wires, as expected, the dependence of the mobility on the transverse field from the gate is pronounced. At…
The non-trivial topology of the three-dimensional (3D) topological insulator (TI) dictates the appearance of gapless Dirac surface states. Intriguingly, when a 3D TI is made into a nanowire, a gap opens at the Dirac point due to the quantum confinement, leading to a peculiar Dirac sub-band structure. This gap is useful for, e.g., future Majorana qubits based on TIs. Furthermore, these Dirac sub-bands can be manipulated by a magnetic flux and are an ideal platform for generating stable Majorana zero modes (MZMs), which play a key role in topological quantum computing. However, direct evidence f…
We report on a theoretical study of the electronic structures of the [111]-oriented, free-standing, zincblende InAs and InP nanowires with hexagonal cross sections by means of an atomistic $sp^{3}s^{*} $, spin-orbit interaction included, nearest-neighbor, tight-binding method. The band structures and the band state wave functions of these nanowires are calculated and the symmetry properties of the bands and band states are analyzed based on the $C_{3v}$ double point group. It is shown that all bands of these nanowires are doubly degenerate at the $Γ$-point and some of these bands will split in…
