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 at different carrier concentrations. We find that the length scale at which the influence of confinement on the power factor can be observed is at diameters below 7nm. We show that contrary to the current view, the effect of confinement and geometry on the power factor originates mostly from changes in the conductivity which is strongly affected, rather than the Seebeck coefficient. In general, enhanced scattering at these diameter scales strongly degrades the conductivity and power factor of the device. We identify cases, however, for which confinement largely improves the channel's conductivity, resulting in ~2-3X power factor improvements. Our results may provide guidance in the design of efficient low dimensional thermoelectric devices.
In the past decade, there has been significant interest in the potentially advantageous thermoelectric properties of one-dimensional (1D) nanowires, but it has been challenging to find high thermoelectric power factors based on 1D effect in practice. Here we point out that there is an upper limit to the thermoelectric power factor of non-ballistic 1D nanowires, as a consequence of the recently established quantum bound of thermoelectric power output. We experimentally test this limit in quasi-ballistic InAs nanowires by extracting the maximum power factor of the first 1D subband through I-V ch…
Based on atomistic calculations of electron and phonon transport, we propose to use surface decorated Silicon nanowires (SiNWs) for thermoelectric applications. Two examples of surface decorations are studied to illustrate the underlying deas: Nanotrees and alkyl functionalized SiNWs. For both systems we find, (i) that the phonon conductance is significantly reduced compared to the electronic conductance leading to high thermoelectric figure of merit, $ZT$, and (ii) for ultra-thin wires surface decoration leads to significantly better performance than surface disorder.
We review a series of works describing thermoelectric effects in gated disordered nanowires (field effect transistor device configuration). After considering the elastic coherent regime characterizing sub-Kelvin temperatures, we study the inelastic activated regime occurring at higher temperatures, where electronic transport is dominated by phonon-assisted hops between localised states (Mott variable range hopping). The thermoelectric effects are studied as a function of the location of the Fermi level inside the nanowire conduction band, notably around its edges where they become very large. …
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…
In this paper we consider charge current generated by maintaining a temperature difference over a nanowire at zero voltage bias. For topological insulator nanowires in a perpendicular magnetic field the current can change sign as the temperature of one end is increased. Here we study how this thermoelectric current sign reversal depends on magnetic field and how impurities affect the size of the thermoelectric current. We consider both scalar and magnetic impurities and show that their influence on the current are quite similar, although the magnetic impurities seem to be more effective in red…
We have simultaneously measured conductance and thermoelectric power (TEP) of individual silicon and germanium/silicon core/shell nanowires in the field effect transistor device configuration. As the applied gate voltage changes, the TEP shows distinctly different behaviors while the electrical conductance exhibits the turn-off, subthreshold, and saturation regimes respectively. At room temperature, peak TEP value of $\sim 300 μ$V/K is observed in the subthreshold regime of the Si devices. The temperature dependence of the saturated TEP values are used to estimate the carrier doping of Si nano…
We theoretically investigate nonlinear ballistic thermoelectric transport in a superlattice-structured nanowire. By a special choice of nonuniform widths of the superlattice barriers - analogous to anti-reflection coating in optical systems - it is possible to achieve a transmission which comes close to a square profile as a function of energy. We calculate the low-temperature output power and power-conversion efficiency of a thermoelectric generator based on such a structure and show that the efficiency remains high also when operating at a significant power. To provide guidelines for experim…
Miniaturization of electronic devices aims at manufacturing ever smaller products, from mesoscopic to nanoscopic sizes. This trend is challenging because the increased levels of dissipated power demands a better understanding of heat transport in small volumes. A significant amount of the consumed energy is transformed into heat and dissipated to the environment. Thermoelectric materials offer the possibility to harness dissipated energy and make devices less energy-demanding. Heat-to-electricity conversion requires materials with a strongly suppressed thermal conductivity but still high elect…
We study a thermoelectric ratchet consisting of an array of disordered nanowires arranged in parallel on top of an insulating substrate, and contacted asymmetrically to two electrodes. Transport is investigated in the Mott hopping regime, when localized electrons can propagate through the nanowires via thermally assisted hops. When the electronic temperature in the nanowires is different from the phononic one in the substrate, we show that a finite electrical current is generated even in the absence of driving forces between the electrodes. We discuss the device performance both as an energy h…
We experimentally verify hitherto untested theoretical predictions about the thermoelectric properties of Kondo correlated quantum dots (QDs). The specific conditions required for this study are obtained by using QDs epitaxially grown in nanowires, combined with a recently developed method for controlling and measuring temperature differences at the nanoscale. This makes it possible to obtain data of very high quality both below and above the Kondo temperature, and allows a quantitative comparison with theoretical predictions. Specifically, we verify that Kondo correlations can induce a polari…
The performance of thermoelectric energy harvesters can be improved by nanostructures that exploit inelastic transport processes. One prototype is the three-terminal hopping thermoelectric device where electron hopping between quantum-dots are driven by hot phonons. Such three-terminal hopping thermoelectric devices have potential in achieving high efficiency or power via inelastic transport and without relying on heavy-elements or toxic compounds. We show in this work how output power of the device can be optimized via tuning the number and energy configuration of the quantum-dots embedded in…
The thermoelectric properties of cubic zincblend silicon carbide nanowires (SiCNWs) with nitrogen impurities and vacancies along [111] direction are theoretically studied by means of atomistic simulations. It is found that the thermoelectric figure of merit ZT of SiCNWs can be significantly enhanced by doping N impurities together with making Si vacancies. Aiming at obtaining a large ZT, we study possible energetically stable configurations, and disclose that, when N dopants locate at the center, a small number of Si vacancies at corners are most favored for n-type nanowires, while a large num…
The thermoelectric properties of quantum dot arrays (QDAs) embedded in nanowires connected to electrodes are studied theoretically in the Coulomb blockade regime. A Hurbbard-Anderson model is used to simulate the electronic contribution to thermoelectric proper- ties of a QDA junction system. The electrical conductance, Seebeck coefficient, and electron thermal conductance are calculated by both the Keldysh Green function method and the mean-field approach. The phonon thermal conductivities are calculated by using the equation of phonon radiative transfer method. In the Coulomb blockade regime…
To examine thermoelectric (TE) properties of a semiconductor nanowire (NW) network, we propose a theoretical approach mapping the TE network on a two-port network. In contrast to a conventional single-port (i.e., resistor) network model, our model allows for large scale calculations showing convergence of TE figure of merit, $ZT$, with an increasing number of junctions. Using this model, numerical simulations are performed for the Bi$_2$Te$_3$ branched nanowire (BNW) and Cayley tree NW (CTNW) network. We find that the phonon scattering at the network junctions plays a dominant role in enhancin…
Prior experimental studies showed that nanowires are promising structures for improving the thermoelectric performance of practical thermoelectric materials due to the strongly induced phonon-boundary scattering. However, few studies examined the impact of phonon-boundary scattering on the thermal conductivity of thermoelectric nanowires from a first-principle approach. In this work, we systematically study the role of phonon-boundary scattering with different boundary specularities on the thermal conductivity of PbSe nanowires by rigorously solving the full phonon Boltzmann transport equation…
Spin-related effects in thermoelectricity can be used to design more efficient refrigerators and offer novel promising applications for the harvesting of thermal energy. The key challenge is to design structural and compositional magnetic material systems with sufficiently high efficiency and power output for transforming thermal energy into electric energy and vice versa. Here, the fabrication of large-area 3D interconnected Co/Cu nanowire networks is demonstrated, thereby enabling the controlled Peltier cooling of macroscopic electronic components with an external magnetic field. The flexibl…
We calculate the charge current generated by a temperature bias between the two ends of a tubular nanowire. We show that in the presence of a transversal magnetic field the current can change sign, i.e., electrons can either flow from the hot to the cold reservoir, or in the opposite direction, when the temperature bias increases. This behavior occurs when the magnetic field is sufficiently strong, such that Landau and snaking states are created, and the energy dispersion is non-monotonic with respect to the longitudinal wave vector. The sign reversal can survive in the presence of impurities.…
Nanoscale structuring holds promise to improve thermoelectric properties of materials for energy conversion and photodetection. We report a study of the spatial distribution of the photothermoelectric voltage in thin-film nanowire devices fabricated from single metal. A focused laser beam is used to locally heat the metal nanostructure via a combination of direct absorption and excitation of a plasmon resonance in Au devices. As seen previously, in nanowires shorter than the spot size of the laser, we observe a thermoelectric voltage distribution that is consistent with the local Seebeck coeff…
As a result of suppressed phonon conduction, large improvements of the thermoelectric figure of merit, ZT, have been recently reported for nanostructures compared to the raw materials' ZT values. It has also been suggested that low dimensionality can improve a device's power factor as well, offering a further enhancement. In this work the atomistic sp3d5s*-spin-orbit-coupled tight-binding model is used to calculate the electronic structure of silicon nanowires (NWs). The linearized Boltzmann transport theory is applied, including all relevant scattering mechanisms, to calculate the electrical …
We apply noise thermometry to characterize charge and thermoelectric transport in single InAs nanowires (NWs) at a bath temperature of 4.2 K. Shot noise measurements identify elastic diffusive transport in our NWs with negligible electron-phonon interaction. This enables us to set up a measurement of the diffusion thermopower. Unlike in previous approaches, we make use of a primary electronic noise thermometry to calibrate a thermal bias across the NW. In particular, this enables us to apply a contact heating scheme, which is much more efficient in creating the thermal bias as compared to conv…
By employing a Boltzmann transport equation and using an energy and size dependent relaxation time ($τ$) approximation (RTA), we evaluate self-consistently the thermoelectric figure-of-merit $ZT$ of a quantum wire with rectangular cross-section. The inferred $ZT$ shows abrupt enhancement in comparison to its counterparts in bulk systems. Still, the estimated $ZT$ for the representative Bi$_2$Te$_3$ nanowires and its dependence on wire parameters deviate considerably from those predicted by the existing RTA models with a constant $τ$. In addition, we address contribution of the higher energy su…
We report measurements of electronic, thermoelectric, and galvanomagnetic properties of individual single crystal antimony telluride (Sb2Te3) nanowires with diameters in the range of 20-100 nm. Temperature dependent resistivity and thermoelectric power (TEP) measurements indicate hole dominant diffusive thermoelectric generation, with an enhancement of the TEP for smaller diameter wires up to 110 uV/K at T = 300 K. We measure the magnetoresistance, in magnetic fields both parallel and perpendicular to the nanowire [110] axis, where strong anisotropic positive magnetoresistance behavior was obs…
Heat engines made of quantum-dot (QD) superlattice nanowires (SLNWs) offer promising applications in energy harvesting due to the reduction of phonon thermal conductivity. In solid state electrical generators (refrigerators), one needs to generate (remove) large amount of charge current (heat current). Consequently, a high QD SLNW density is required for realistic applications. This study theoretically investigated the properties of power factor and electron heat rectification for an SLNW array under the transition from a one dimensional system to a two dimensional system. The SLNW arrays show…
We theoretically studied the effect of the perpendicular electric field on the thermoelectric properties of the intrinsic, n-type and p-type bismuth telluride nanowires with the growth direction [110]. The electronic structure and the wave functions were calculated by solving self-consistently the system of the Schrodinger and Poisson equations using the spectral method. The Poisson equation was solved in terms of the Newton - Raphson method within the predictor-corrector approach. The electron - electron exchange - correlation interactions were taken into account in our analysis. In the tempe…
We compute both electron- and phonon transmissions in thin disordered silicon nanowires. Our atomistic approach is based on tight-binding and empirical potential descriptions of the electronic and phononic systems, respectively. Surface disorder is modeled by including surface silicon vacancies. It is shown that the average phonon- and electron transmissions through long SiNWs containing many vacancies can be accurately estimated from the scattering properties of the isolated vacancies using a recently proposed averaging method [Phys. Rev. Lett. 99, 076803 (2007)]. We apply this averaging meth…
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…
Nanowires with a GaSb core and an InAs shell (and the inverted structure) are interesting for studies of electron-hole hybridization and interaction effects due to the bulk broken band-gap alignment at the material interface. We have used eight-band $\mathbf{k\cdot p}$ theory together with the envelope function approximation to calculate the band structure of such nanowires. For a fixed core radius, as a function of shell thickness the band structure changes from metallic (for a thick shell) to semiconducting (for a thin shell) with a gap induced by quantum confinement. For intermediate shell …
We demonstrate high-temperature thermoelectric conversion in InAs/InP nanowire quantum dots by taking advantage of their strong electronic confinement. The electrical conductance G and the thermopower S are obtained from charge transport measurements and accurately reproduced with a theoretical model accounting for the multi-level structure of the quantum dot. Notably, our analysis does not rely on the estimate of co-tunnelling contributions since electronic thermal transport is dominated by multi-level heat transport. By taking into account two spin-degenerate energy levels we are able to eva…
We calculate the charge and heat current associate with electrons, generated by a temperature gradient and chemical potential difference between two ends of a tubular nanowire of 30 nm radius in the presence of an external magnetic field perpendicular to its axis. We consider a nanowire based on a semiconductor material, and use the Landauer-Bttiker approach to calculate the transport quantities. We obtain the variation of the Seebeck coefficient ($S$), thermal conductivity kappa, and the figure of merit ($ZT$), with respect to the temperature up to 20\,K, and with the magnetic field up to 3 T…
The thermoelectric properties of 1.6 nm-thick Si square nanowires with [100] crystalline orientation are calculated over a wide temperature range from 0 K to 1000 K, taking into account atomistic electron-phonon interaction. In our model, the [010] and [001] facets are passivated by hydrogen and there are Si-Si dimers on the nanowire surface. The electronic structure was calculated by using the sp^3 spin-orbit-coupled atomistic second-nearest-neighbor tight-binding model. The phonon dispersion was calculated from a valence force field model of the Brenner type. A scheme for calculating electro…
It is known that the figure of merit ($ZT$) of thin nanowires can be significantly enhanced at room temperature due to the reduction of phonon thermal conductance arising from the increase of boundary scattering of phonons. It is expected that the phonon thermal conductance of nanowires filled with quantum dots (QDs) will be further reduced. Here we consider a superlattice nanowire (SLNW) modeled by a linear chain of strongly coupled QDs connected to electrodes. We study the dependence of $ZT$ on the QD energy level ($E_0$) (relative to the Fermi level $E_F$ in the electrodes), inter-dot coupl…
This review focuses on the investigation and enhancement of the thermoelectric properties of semiconducting nanowires (NWs). NWs are nanostructures with typical diameters between few to hundreds of nm and length of few to several microns, exhibiting a high surface-to-volume ratio. Nowadays an extraordinary control over their growth has been achieved, enabling also the integration of different types of heterostructures, which can lead to the engineering of the functional properties of the NWs. In this review, we discuss all concepts which have been presented and achieved so far for the improvem…
The thermoelectric properties of a nanoscale germanium segment connected by aluminium nanowires are studied using scanning thermal microscopy. The germanium segment of 168\,nm length features atomically sharp interfaces to the aluminium wires and is surrounded by an Al$_2$O$_3$ shell. The temperature distribution along the self-heated nanowire is measured as a function of the applied electrical current, for both Joule and Peltier effects. An analysis is developed that is able to extract the thermal and thermoelectric properties including thermal conductivity, the thermal boundary resistance to…
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…
Suppressing phonon propagation in nanowires is an essential goal towards achieving efficient thermoelectric devices. Recent experiments have shown unambiguously that surface roughness is a key factor that can reduce the thermal conductivity well below the Casimir limit in thin crystalline silicon nanowires. We use insights gained from the experimental studies to construct a simple analytically tractable model of the phonon-surface roughness interaction that provides a better theoretical understanding of the effects of surface roughness on the thermal conductivity, which could potentially help …
We use the strongly temperature-dependent ionic mobility in polymer electrolytes to 'freeze in' specific ionic charge environments around a nanowire using a local wrap-gate geometry. This enables us to set both the threshold voltage for a conventional doped substrate gate and the local disorder potential at temperatures below 200 Kelvin, which we characterize in detail by combining conductance and thermovoltage measurements with modeling. Our results demonstrate that local polymer electrolyte gates are compatible with nanowire thermoelectrics, where they offer the advantage of a very low therm…
The thermoelectric properties of the surface states in three-dimensional topological insulator nanowires are studied. The Seebeck coefficients $S_c$ and the dimensionless thermoelectrical figure of merit $ZT$ are obtained by using the tight-binding Hamiltonian combining with the nonequilibrium Green's function method. They are strongly dependent on the gate voltage and the longitudinal and perpendicular magnetic fields. By changing the gate voltage or magnetic fields, the values of $S_c$ and $ZT$ can be easily controlled. At the zero magnetic fields and zero gate voltage, or at the large perpe…
Thermoelectric measurements have the potential to uncover the density of states of low-dimensional materials. Here, we present the anomalous thermoelectric behaviour of mono-layer graphene-nanowire (NW) heterostructures, showing large oscillations as a function of doping concentration. Our devices consist of InAs NW and graphene vertical heterostructures, which are electrically isolated by thin ($\sim$ 10nm) hexagonal boron nitride (hBN) layers. In contrast to conventional thermoelectric measurements, where a heater is placed on one side of a sample, we use the InAs NW (diameter $\sim 50$ nm) …
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 present a comprehensive computational study of the electronic, thermal, and thermoelectric (TE) properties of gallium nitride nanowires (NWs) over a wide range of thicknesses (3--9 nm), doping densities ($10^{18}$--$10^{20}$ cm$^{-3}$), and temperatures (300--1000 K). We calculate the low-field electron mobility based on ensemble Monte Carlo transport simulation coupled with a self-consistent solution of the Poisson and Schrödinger equations. We use the relaxation-time approximation and a Poisson-Schrodinger solver to calculate the electron Seebeck coefficient and thermal conductivity. Latt…
Low dimensional materials provide the possibility of improved thermoelectric performance due to the additional length scale degree of freedom for engineering their electronic and thermal properties. As a result of suppressed phonon conduction, large improvements on the thermoelectric figure of merit, ZT, have been recently reported in nanostructures, compared to the raw materials' ZT values. In addition, low dimensionality can improve a device's power factor, offering an additional enhancement in ZT. In this work the atomistic sp3d5s*-spin-orbit-coupled tight-binding model is used to calculate…
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…
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.
Nanostructured composites and nanowire arrays of traditional thermoelectrics like Bi, Bi(1-x)Sb(x) and Bi(2)Te(3) have metallic Rashba surface spin-orbit bands featuring high mobilities rivaling that of the bulk for which topological insulator behavior has been proposed. Nearly pure surface electronic transport has been observed at low temperatures in Bi nanowires with diameter around the critical diameter, 50 nm, for the semimetal-to semiconductor transition. The surface contributes strongly to the thermopower, actually dominating for temperatures T < 100 K in these nanowires. The surface the…
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…
Many thermoelectrics like Bi exhibit Rashba spin-orbit surface bands for which topological insulator behavior consisting of ultrahigh mobilities and enhanced thermopower has been predicted. Bi nanowires realize surface-only electronic transport since they become bulk insulators when they undergo the bulk semimetal-semiconductor transition as a result of quantum confinement for diameters close to 50 nm. We studied 20-, 30-, 50- and 200-nm trigonal Bi wires. Shubnikov-de Haas magnetoresistance oscillations caused by surface electrons and bulklike holes enable the determination of their densities…
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…
In this work we theoretically explore the effect of dimensionality on the thermoelectric power factor of InAs nanowires by coupling atomistic tight-binding calculations to the Linearized Boltzmann transport formalism. We consider nanowires with diameters from 40nm (bulk-like) down to 3nm (1D), which allows for the proper exploration of the power factor within a unified large-scale atomistic description across a large diameter range. We find that as the diameter of the nanowires is reduced below d < 10 nm, the Seebeck coefficient increases substantially, a consequence of strong subband quantiza…
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 orientatio…
Thermoelectric (TE) properties of a single nanowire (NW) are investigated in a microlab which allows the determination of the Seebeck coefficient S and the conductivity σ. A significiant influence of the magnetization of a 70 nm ferromagnetic Ni-NW on its power factor S^{2}σ is observed. We detected a strong magneto thermopower effect (MTP) of about 10% and an anisotropic magneto resistance (AMR) as a function of an external magnetic field B in the order of 1%. At T = 295 K and B = 0 T we determined the absolute value of S = - (19 \pm 2) μV/K. At zero field the figure of merit ZT \approx 0.02 …
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…
Individual highly pure single crystalline silver nanowires (Ag NWs) were investigated with regard to the electrical conductivity $σ$, the thermal conductivity $λ$ and the Seebeck coefficient $S$ as function of the temperature $T$ between $1.4\,\mathrm{K}$ and room temperature (RT). Transmission electron microscopy was performed subsequently to the thermoelectric characterization of the Ag NWs, so that their transport properties can be correlated with the structural data. The crystal structure, surface morphology and the rare occurrence of kinks and twinning were identified. The thermoelectric …
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…
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…
