One of the fundamental properties of semiconductors is their ability to support highly tunable electric currents in the presence of electric fields or carrier concentration gradients. These properties are described by transport coefficients such as electron and hole mobilities. Recently, advances in electronic structure methods for real materials have made it possible to study these properties with predictive accuracy and without resorting to empirical parameters. Here, we review the most recent developments in the area of ab initio calculations of carrier mobilities of semiconductors. In the first part, we offer a brief historical overview of approaches to the calculation of carrier mobilities, and we establish the conceptual framework underlying modern ab initio approaches. We summarize the Boltzmann theory of carrier transport and we discuss its scope of applicability, merits, and limitations in the broader context of many-body Green's function approaches. We discuss recent implementations of the Boltzmann formalism within the context of density functional theory and many-body perturbation theory calculations, placing an emphasis on the key computational challenges and suggested solutions. In the second part, we discuss recent investigations of classic materials such as silicon, diamond, GaAs, GaN, Ga2O3, and lead halide perovskites as well as low-dimensional semiconductors such as graphene, silicene, phosphorene, MoS2, and InSe. We also review recent efforts toward high-throughput calculations of carrier transport. In the last part, we discuss the extension of the methodology to study spintronics and topological materials and we comment on the possibility of incorporating Berry-phase effects and many-body correlations beyond the standard Boltzmann formalism.
We investigate the carrier mobility in mono- and bi-layer graphene with a top HfO2 dielectric, as a function of the HfO2 film thickness and temperature. The results show that the carrier mobility decreases during the deposition of the first 2-4 nm of top dielectric and remains constant for thicker layers. The carrier mobility shows a relatively weak dependence on temperature indicating that phonon scattering does not play a dominant role in controlling the carrier mobility. The data strongly suggest that fixed charged impurities located in close proximity to the graphene are responsible for th…
High mobility and dilute two-dimensional electron systems exhibit metallic behavior down to the lowest experimental temperatures. In studies of ionic liquid gated insulating silicon, we have observed transitions to a metallic state in low mobility samples at much higher areal carrier densities than found for samples of high mobility. We have also observed a mobility peak in metallic samples as the carrier density was increased beyond $10^{13} \text{cm}^{-2}$.
We have theoretically studied the dielectric environment effect on the charged-impurity-limited carrier mobility of graphene double-layer structure (GDLS) on the basis of the Boltzmann transport theory. In this system, two graphene layers are separated by a dielectric barrier layer. It is pointed out that the carrier mobility strongly depends on the dielectric constant of the barrier layer when the interlayer distance becomes larger than the inverse of the Fermi wave vector. Moreover, the conditions to improve the charged-impurity-limited carrier mobility of the GDLS are evaluated.
Carrier mobility is a crucial character for electronic devices since it domains power dissipation and switching speed. Materials with certain high carrier mobility, equally, unveil rich unusual physical phenomena elusive in their conventional counterparts. As a consequence, the methods to enhance the carrier mobility of materials receive immense research interests due to their potential applications in more effective electronic devices and enrichment of more unusual phenomena. For instance, introducing a flat hexagonal boron nitride (h-BN) substrate to enhance the carrier mobility has been ach…
We utilize an organic polymer buffer layer between graphene and conventional gate dielectrics in top-gated graphene transistors. Unlike other insulators, this dielectric stack does not significantly degrade carrier mobility, allowing for high field-effect mobilities to be retained in top-gate operation. This is demonstrated in both two-point and four-point analysis, and in the high-frequency operation of a graphene transistor. Temperature dependence of the carrier mobility suggests that phonons are the dominant scatterers in these devices.
The dielectric environment of thin semiconductor nanowires can affect the charge transport properties inside the wire. In this work, it is shown that Coulomb impurity scattering inside thin nanowires can be damped strongly by coating the wire with a high-k dielectric. This will lead to an increase in the mobility of free charges inside the wire.
A typical signature of charge extraction in disordered organic systems is dispersive transport, which implies a distribution of charge carrier mobilities that negatively impact on device performance. Dispersive transport has been commonly understood to originate from a time-dependent mobility of hot charge carriers that reduces as excess energy is lost during relaxation in the density of states. In contrast, we show via photon energy, electric field and film thickness independence of carrier mobilities that the dispersive photocurrent in organic solar cells originates not from the loss of exce…
Using density functional theory, we present a comparative study of the electronic properties of BN-doped graphene monolayer, bilayer, trilayer, and multilayer systems. In addition, we address a superlattice of pristine and BN-doped graphene. Five doping concentrations between 12.5% and 75% are considered, for which we obtain band gaps from 0.02 eV to 2.43 eV. We show that the effective mass varies between 0.007 and 0.209 free electron masses, resembling a high mobility of the charge carriers.
The ultimate limitations on carrier mobilities in metal dichalcogenides, and the dynamics associated with carrier relaxation, are unclear. We present measurements of the frequency-dependent conductivity of multilayer dichalcogenide MoS2 by optical-pump terahertz-probe spectroscopy. We find mobilities in this material approaching 4200 cm2/Vs at low temperatures. The temperature dependence of scattering indicates that the mobility, an order of magnitude larger than previously reported for MoS2, is intrinsically limited by acoustic phonon scattering at THz frequencies. Our measurements of carrier…
We have used an electro-optic technique to measure the position-dependent infrared absorption of holes injected into a thin crystal of the organic semiconductor, 6,13-bis(triisopropylsilylethynyl)-pentacene incorporated in a field-effect transistor. By applying square-wave voltages of variable frequency to the gate or drain, one can measure the time it takes for charges to accumulate on the surface, and therefore determine their mobility.
Preceding the current interest in layered materials for electronic applications, research in the 1960's found that black phosphorus combines high carrier mobility with a fundamental band gap. We introduce its counterpart, dubbed few-layer phosphorene, as a new 2D p-type material. Same as graphene and MoS2, phosphorene is flexible and can be mechanically exfoliated. We find phosphorene to be stable and, unlike graphene, to have an inherent, direct and appreciable band-gap that depends on the number of layers. Our transport studies indicate a carrier mobility that reflects its structural anisotr…
It is widely assumed that the dominant source of scattering in graphene is charged impurities in a substrate. We have tested this conjecture by studying graphene placed on various substrates and in high-k media. Unexpectedly, we have found no significant changes in carrier mobility either for different substrates or by using glycerol, ethanol and water as a top dielectric layer. This suggests that Coulomb impurities are not the scattering mechanism that limits the mean free path currently attainable for graphene on a substrate.
We report the fabrication of ionic liquid (IL) gated field-effect transistors (FETs) consisting of bilayer and few-layer MoS2. Our transport measurements indicate that the electron mobility about 60 cm2V-1s-1 at 250 K in ionic liquid gated devices exceeds significantly that of comparable back-gated devices. IL-FETs display a mobility increase from about 100 cm2V-1s-1 at 180 K to about 220 cm2V-1s-1 at 77 K in good agreement with the true channel mobility determined from four-terminal measurements, ambipolar behavior with a high ON/OFF ratio >107 (104) for electrons (holes), and a near ideal su…
Ability to understand and model the performance limits of nanowire transistors is the key to design of next generation devices. Here, we report studies on high-mobility junction-less gate-all-around nanowire field effect transistor with carrier mobility reaching 2000 cm2/V.s at room temperature. Temperature-dependent transport measurements reveal activated transport at low temperatures due to surface donors, while at room temperature the transport shows a diffusive behavior. From the conductivity data, the extracted value of sound velocity in InAs nanowires is found to be an order less than th…
We fabricate electric double-layer field-effect transistor (EDL-FET) devices on mechanically exfoliated few-layer graphene. We exploit the large capacitance of a polymeric electrolyte to study the transport properties of three, four and five-layer samples under a large induced surface charge density both above and below the glass transition temperature of the polymer. We find that the carrier mobility shows a strong asymmetry between the hole and electron doping regime. We then employ ab-initio density functional theory (DFT) calculations to determine the average scattering lifetime from the e…
Very recently, it was demonstrated that the carrier mobility of a molecular monolayer dioctylbenzothienobenzothiophene (C8-BTBT) on boron nitride can reach 10 cm2/Vs, the highest among the previously reported monolayer molecular field-effect transistors. Here we show that the high-quality single crystal of the C8-BTBT monolayer may be the key origin of the record-high carrier mobility. We discover that the C8-BTBT molecules prefer layer-by-layer growth on both hexagonal boron nitride and graphene. The flatness of these substrates substantially decreases the C8-BTBT nucleation density and enabl…
Transition-metal dichalcogenides (TMDCs) are important class of two-dimensional (2D) layered materials for electronic and optoelectronic applications, due to their ultimate body thickness, sizable and tunable bandgap, and decent theoretical room-temperature mobility of hundreds to thousands cm2/Vs. So far, however, all TMDCs show much lower mobility experimentally because of the collective effects by foreign impurities, which has become one of the most important limitations for their device applications. Here, taking MoS2 as an example, we review the key factors that bring down the mobility in…
We report a comprehensive study of the maximization of the spin Hall ratio (θSH) in Pt thin films by the insertion of sub-monolayer layers of Ti to decrease carrier lifetime while minimizing the concurrent reduction in the spin Hall conductivity. We establish that the intrinsic spin Hall conductivity of Pt, while robust against the strain and the moderate interruption of crystal order caused by these insertions, begins to decrease rapidly at high resistivity level because of the shortening carrier lifetime. The unavoidable trade-off between the intrinsic spin Hall conductivity and carrier life…
A new two-dimensional (2D) layered material, namely, titanium trisulfide (TiS$_3$) monolayer sheet, is predicted to possess desired electronic properties for nanoelectronic applications. On basis of the first-principles calculations within the framework of density functional theory and deformation theory, we show that the TiS$_3$ 2D crystal is a direct gap semiconductor with a band gap of 1.06 eV and high carrier mobility. More remarkably, the in-plane electron mobility of the 2D TiS$_3$ is highly anisotropic, amounting to $\sim$10,000 cm$^2$V$^{-1}$s$^{-1}$ in the \emph{b} direction, which is…
Graphene was epitaxially grown on both the C- and Si-faces of 4H- and 6H-SiC(0001) under an argon atmosphere and under high vacuum conditions. Following growth, samples were imaged with Nomarski interference contrast and atomic force microscopies and it was found that growth under argon led to improved morphologies on the C-face films but the Si-face films were not significantly affected. Free carrier transport studies were conducted through Hall effect measurements, and carrier mobilities were found to increase and sheet carrier densities were found to decrease for those films grown under arg…
We examine mobility and saturation velocity in graphene on SiO2 above room temperature (300-500 K) and at high fields (~1 V/um). Data are analyzed with practical models including gated carriers, thermal generation, "puddle" charge, and Joule heating. Both mobility and saturation velocity decrease with rising temperature above 300 K, and with rising carrier density above 2x10^12 cm^-2. Saturation velocity is >3x10^7 cm/s at low carrier density, and remains greater than in Si up to 1.2x10^13 cm^-2. Transport appears primarily limited by the SiO2 substrate, but results suggest intrinsic graphene …
The large scale various shapes and orientation defects influence into carrier scattering was theoretically analyzed using Monte Carlo method and compared to the experimental measurements. It was shown how the large scale defects screen themselves from the interaction with free charge carriers. The comparison of quantum and classical transport regimes was performed.
We show that graphene deposited on a substrate has a non-negligible density of atomic scale defects. This is evidenced by a previously unnoticed D peak in the Raman spectra with intensity of about 1% with respect to the G peak. We evaluated the effect of such impurities on electron transport by mimicking them with hydrogen adsorbates and measuring the induced changes in both mobility and Raman intensity. If the intervalley scatterers responsible for the D peak are monovalent, their concentration is sufficient to account for the limited mobilities achievable in graphene on a substrate.
SnO2 porous nanosolid (PNS) was prepared by a solvothermal hot-press method, and a new strategy was developed to improve its interfacial crystallinity and carrier mobility. It was found that the carrier mobility of SnO2 PNS was improved after being calcined at 500 °C in high-pressure oxygen. Furthermore, the mobility was greatly increased by calcining SnO2 PNS at 350 °C for 12 h in high-pressure oxygen, and the highest mobility reached 35 cm2/Vs. On the other hand, the complex impedance spectra of the samples revealed that the annihilation of oxygen vacancies mainly happens within the interfac…
Capacitance-voltage characteristics of individual germanium nanowire field effect transistors were directly measured and used to assess carrier mobility in nanowires for the first time; thereby removing uncertainties in calculated mobility due to device geometries, surface and interface states and gate dielectric constants and thicknesses. Direct experimental evidence showed that surround-gated nanowire transistors exhibit higher capacitance and better electrostatic gate control than top-gated devices, and are the most promising structure for future high performance nanoelectronics.
Considering scattering by unintentional background charged impurities and by charged dopants in the modulation doping layer as well as by GaAs acoustic phonons, we theoretically consider the practical intrinsic (phonons) and extrinsic (background and dopants) limits to carrier mobility in modulation doped AlGaAs-GaAs 2D semiconductor structures. We find that reducing background impurity density to $10^{12}$ cm$^{-3}$ along with a modulation doping separation of 1000 Åor above will achieve a mobility of $100 \times 10^6$ cm$^2$/Vs at a carrier density of $3\times 10^{11}$ cm$^{-2}$ for T=1K. At…
We report a direct correlation between carrier mobility and Raman topography of epitaxial graphene (EG) grown on silicon carbide (SiC). We show the Hall mobility of material on the Si-face of SiC [SiC(0001)] is not only highly dependent on thickness uniformity but also on monolayer strain uniformity. Only when both thickness and strain are uniform over a significant fraction (> 40%) of the device active area does the mobility exceed 1000 cm2/V-s. Additionally, we achieve high mobility epitaxial graphene (18,100 cm2/V-s at room temperature) on the C-face of SiC [SiC(000-1)] and show that carrie…
The peculiar shape of the Fermi surface of topological nodal line semimetals at low carrier concentrations results in their unusual optical and transport properties. We analytically investigate the linear optical responses of three and two-dimensional nodal line semimetals using the Kubo formula. The optical conductivity of a three-dimensional nodal line semimetal is anisotropic. Along the axial direction (\textit{i.e.}, the direction perpendicular to the nodal-ring plane), the Drude weight has a linear dependence on the chemical potential at both low and high carrier dopings. For the radial d…
Finite-bandwidth effects on the temperature dependence of the mobility of injected carriers in pure organic crystals are explored for a simplifed case of impurity scattering. Temperature-dependent bandwidth effects are discussed briefly through a simplified combination of band and polaronic concepts.
We have theoretically investigated the intrinsic carrier mobility in semimetals with distorted Dirac cones under both longitudinal and transverse acoustic phonon scattering. An analytic formula for the carrier mobility was obtained. It shows that tilting significantly reduces the mobility. The theory was then applied to 8B-Pmmn borophene and borophane (fully hydrogenated borophene), both of which have tilted Dirac cones. The predicted carrier mobilities in 8B-Pmmn borophene at room temperature are both higher than that in graphene. For borophane, despite its superhigh Fermi velocity, the carri…
We report the giant carrier mobility in single crystals of FeSb2. Nonlinear field dependence of Hall resistivity is well described with the two-carrier model. Maximum mobility values in high mobility band reach ~10^5 cm^2/Vs at 8 K, and are ~10^2 cm^2/Vs at the room temperature. Our results point to a class of materials with promising potential for applications in solid state electronics.
The carrier density and temperature dependence of the Hall mobility in mono-, bi- and tri-layer graphene has been systematically studied. We found that as the carrier density increases, the mobility decreases for mono-layer graphene, while it increases for bi-layer/tri-layer graphene. This can be explained by the different density of states in mono-layer and bi-layer/tri-layer graphenes. In mono-layer, the mobility also decreases with increasing temperature primarily due to surface polar substrate phonon scattering. In bi-layer/tri-layer graphene, on the other hand, the mobility increases with…
In this work, we introduce models for deriving lower limits for the key parameters doping efficiency, charge carrier concentration, and charge carrier mobility from conductivity data of doped organic semiconductors. The models are applied to data of thin layers of Fullerene C60 n-doped by four different n-dopants. Combining these findings with thermoelectric Seebeck data, the energetic position of the transport level can be narrowed down and trends for the absolute values are derived.
We discovered that perovskite (Ba,La)SnO3 can have excellent carrier mobility even though its band gap is large. The Hall mobility of Ba0.98La0.02SnO3 crystals with the n-type carrier concentration of \sim 8-10\times10 19 cm-3 is found to be \sim 103 cm2 V-1s-1 at room temperature, and the precise measurement of the band gap Δof a BaSnO3 crystal shows Δ=4.05 eV, which is significantly larger than those of other transparent conductive oxides. The high mobility with a wide band gap indicates that (Ba,La)SnO3 is a promising candidate for transparent conductor applications and also epitaxial all-p…
We investigate a theoretical model for effective carrier mobility to comprehensively describe the behavior of the perpendicular carrier transport across multiple quantum well (MQW) structures under applied electric field. The analytical expressions of effective mobilities for thermionic emission, direct tunneling, and thermally-assisted tunneling are derived based on the quasi-thermal equilibrium approximation and the semi-classical approach. Effective electron and hole mobilities in InGaAs/GaAsP MQWs predicted from our model are in good agreement with the experimental results obtained from th…
We discuss the residual carrier density (n*) near the Dirac point (DP) in graphene estimated by quantum capacitance (CQ) and conductivity measurements. The CQ at the DP has a finite value and is independent of the temperature. A similar behavior is also observed for the conductivity at the DP, because their origin is residual carriers induced externally by charged impurities. The n* extracted from CQ, however, is often smaller than that from the conductivity, suggesting that the mobility in the puddle region is lower than that in the linear region. The CQ measurement should be employed for est…
The power conversion efficiency of organic solar cells based on donor--acceptor blends is governed by an interplay of polaron pair dissociation and bimolecular polaron recombination. Both processes are strongly dependent on the charge carrier mobility, the dissociation increasing with faster charge transport, with raised recombination losses at the same time. Using a macroscopic effective medium simulation, we calculate the optimum charge carrier mobility for the highest power conversion efficiency, for the first time accounting for injection barriers and a reduced Langevin-type recombination.…
The mobility of charge carriers in a semiconductor nanowire is explored as a function of increasing radius, assuming low temperatures where impurity scattering dominates. The competition between increased cross-section and the concurrent increase in available scattering channels causes strongly non-monotonic dependence of the mobility on the radius. The inter-band scattering causes sharp declines in the mobility at the wire radii at which each new channel becomes available. At intermediate radii with the number of channels unchanged the mobility is seen to maintain an exponential growth even w…
Experimental realization of single-layer MoSi2N4 is among the latest groundbreaking advances in the field of two-dimensional (2D) materials. Inspired by this accomplishment, herein we conduct first-principles calculations to explore the stability of MC2N4 (M= Cr, Mo, W, V, Nb, Ta, Ti, Zr, Hf) monolayers. Acquired results confirm the desirable thermal, dynamical and mechanical stability of MC2N4 (M= Cr, Mo, W, V) nanosheets. Interestingly, CrC2N4, MoC2N4 and WC2N4 monolayers are found to be semiconductors with band gaps of 2.32, 2.76 and 2.86 eV, respectively, using the HSE06 functional, wherea…
We measured the optical reflectivity of the Dirac material Au$_{2}$Pb in a broad frequency range (30 - 48 000 cm$^{-1}$) for temperatures between 9 and 300 K. The optical conductivity, computed from the reflectivity, is dominated by free-carrier contributions from topologically trivial bulk bands at all temperatures. The temperature-independent total plasma frequency of these carriers is 3.9 $\pm$ 0.2 eV. Overall, optical response of Au$_{2}$Pb is typically metallic with no signs of localization and bad-metal behavior.
We investigated the influence of oxygen on the performance of P3HT:PCBM (poly(3-hexylthiophene):[6,6]-phenyl C61 butyric acid methyl ester) solar cells by current--voltage, thermally stimulated current (TSC) and charge extraction by linearly increasing voltage (CELIV) measurement techniques. The exposure to oxygen leads to an enhanced charge carrier concentration and a decreased charge carrier mobility. Further, an enhanced formation of deeper traps was observed, although the overall density of traps was found to be unaffected upon oxygen exposure. With the aid of macroscopic simulations, base…
Two-dimensional (2D) semiconductors have demonstrated great potential for next-generation electronics and optoelectronics. An important property for these applications is the phonon-limited charge carrier mobility. The common approach to calculate the mobility from first principles relies on the interpolation of the electron-phonon coupling (EPC) matrix. However, it neglects the scattering by the dynamical quadrupoles generated by phonons, limiting its accuracy. Here we present a first-principles method to incorporate the quadrupole scattering, which results in a much better interpolation qual…
Electron-defect ($e$-d) interactions govern charge carrier dynamics at low temperature, where they limit the carrier mobility and give rise to phenomena of broad relevance in condensed matter physics. Ab initio calculations of $e$-d interactions are still in their infancy, mainly because they require large supercells and computationally expensive workflows. Here we develop an efficient ab initio approach for computing elastic $e$-d interactions, their associated $e$-d relaxation times (RTs), and the low-temperature defect-limited carrier mobility. The method is applied to silicon with simple n…
Carbon nanomaterials continue to amaze scientists due to their exceptional physical properties. Recently there have been theoretical predictions and first reports on graphene multilayers, where, due to the rotation of the stacked layers, outstanding electronic properties are retained while the susceptibility to degradation and mechanical stress is strongly reduced due to the multilayer nature. Here we show that fully turbostratic multilayer graphitic microstructures combine the high charge carrier mobilities necessary for advanced electronic and spintronic devices with the robustness of graphi…
We report herein that the carrier mobility of the 2%-La-doped BaSnO3 (LBSO) films on (001) SrTiO3 and (001) MgO substrates strongly depends on the thickness whereas it is unrelated to the lattice mismatch (+5.4% for SrTiO3, -2.3% for MgO). Although we observed large differences in the lattice parameters, the lateral grain size (~85 nm for SrTiO3, ~20 nm for MgO), the surface morphology and the density of misfit dislocations, the mobility increased almost simultaneously with the thickness in both cases and saturated at ~100 cm2 V-1 s-1, together with the approaching to the nominal carrier conce…
Carbon nanotube field-effect transistors operate over a wide range of electron or hole density, controlled by the gate voltage. Here we calculate the mobility in semiconducting nanotubes as a function of carrier density and electric field, for different tube diameters and temperature. The low-field mobility is a non-monotonic function of carrier density, and varies by as much as a factor of 4 at room temperature. At low density, with increasing field the drift velocity reaches a maximum and then exhibits negative differential mobility, due to the non-parabolicity of the bandstructure. At a cri…
The temperature dependence of experimental charge carrier mobility is commonly used as a predictor of the dominant carrier scattering mechanism in semiconductors, particularly in thermoelectric applications. In this work, we critically evaluate whether this practice is well founded. A review of 47 state-of-the-art mobility calculations reveals no correlation between the major scattering mechanism and the temperature trend of mobility. Instead, we demonstrate that the phonon frequencies are the prevailing driving forces behind the temperature dependence and can cause it to vary between $T^{-1}$…
A recently predicted two dimensional (2D) carbon allotrope, tetrahex-carbon consisting of tetragonal and hexagonal rings, draws research interests due to its unique mechanical and electronic properties. Tetrahex-C shows ultrahigh strength, negative Poisson ratio, a direct band gap and high carrier mobility. In this work, we employ first-principles density-functional theory calculations to explore the directional dependence of electronic properties such as carrier effective mass and mobility in tetrahex-C. Tetrahex-C demonstrates strong anisotropicity in effective mass of charge carrier and the…
We present a module to calculate the mobility and conductivity of semi-conducting materials using Rode's algorithm. This module uses a variety of electronic structure inputs derived from the Density Functional Theory (DFT). We have demonstrated good agreement with experimental results for the case of Cadmium Sulfide (CdS). We also provide a comparison with the widely used method, the so called Relaxation Time Approximation (RTA) and demonstrated the improvisation of the results compared to RTA. The present version of the module is interfaced with Vienna ab-initio simulation package (VASP).
Two-dimensional (2D) Janus transition metal dichalcogenides (TMDs) are a new class of materials with unique physical properties. However, the carrier mobility of most Janus TMDs calculated by deformation potential theory (DPT) is not reliable due to the unconsidered part of lattice scattering. In this work, we propose a new method of Born effective charge (BEC) to calculate the carrier mobility of Janus TMDs by including the important factors that neglected in the DPT. The BEC could be used in the calculation of both pure and defective Janus TMDs by employing density functional perturbation th…
Epitaxial graphene films were grown in vacuo by silicon sublimation from the (0001) and (000-1) faces of 4H- and 6H-SiC. Hall effect mobilities and sheet carrier densities of the films were measured at 300 K and 77 K and the data depended on the growth face. About 40% of the samples exhibited holes as the dominant carrier, independent of face. Generally, mobilities increased with decreasing carrier density, independent of carrier type and substrate polytype. The contributions of scattering mechanisms to the conductivities of the films are discussed. The results suggest that for near-intrinsic …
Fermi arc surface states, a hallmark of topological Dirac semimetals, can host carriers that exhibit unusual dynamics distinct from that of their parent bulk. Here we find that Fermi arc carriers in intrinsic Dirac semimetals possess a strong and anisotropic light matter interaction. This is characterized by a large Fermi arc optical conductivity when light is polarized transverse to the Fermi arc; when light is polarized along the Fermi arc, Fermi arc optical conductivity is significantly muted. The large surface spectral weight is locked to the wide separation between Dirac nodes and persist…
We propose a technique for achieving large improvements in carrier mobilities in 2- and 1-dimensional semiconductor nanostructures by modifying their dielectric environments. We show that by coating the nanostructures with high-$κ$ dielectrics, scattering from Coulombic impurities can be strongly damped. Though screening is also weakened, the damping of Coulombic scattering is much larger, and the resulting improvement in mobilities of carriers can be as much as an order of magnitude for thin 2D semiconductor membranes, and more for semiconductor nanowires.
Two-dimensional (2D) semiconductors have demonstrated great potential for next-generation electronics and optoelectronics. However, the current 2D semiconductors suffer from intrinsically low carrier mobility at room temperature, which significantly limits its applications. Here we discover a variety of new 2D semiconductors with mobility one order of magnitude higher than the current ones. The discovery is made by developing effective descriptors for high-throughput computationally screening of the 2D materials database, followed by using state-of-the-art first principles method to accurately…
We present a theory for single- and two-phonon charge carrier scattering in anisotropic two-dimensional semiconductors applied to single-layer black phosphorus (BP). We show that in contrast to graphene, where two-phonon processes due to the scattering by flexural phonons dominate at any practically relevant temperatures and are independent of the carrier concentration $n$, two-phonon scattering in BP is less important and can be considered negligible at $n\gtrsim10^{13}$ cm$^{-2}$. At smaller $n$, however, phonons enter in the essentially anharmonic regime. Compared to the hole mobility, whic…
In this work, the consequence of the high band-edge density of states on the carrier statistics and quantum capacitance in transition metal dichalcogenide two-dimensional semiconductor devices is explored. The study questions the validity of commonly used expressions for extracting carrier densities and field-effect mobilities from the transfer characteristics of transistors with such channel materials. By comparison to experimental data, a new method for the accurate extraction of carrier densities and mobilities is outlined. The work thus highlights a fundamental difference between these mat…
Two-dimensional (2D) semiconductors with direct and modest bandgap and ultrahigh carrier mobility are highly desired functional materials for nanoelectronic applications. Herein, we predict that monolayer CaP3 is a new 2D functional material that possesses not only a direct bandgap of 1.15 eV (based on HSE06 computation), and also a very high electron mobility up to 19930 cm2 V-1 s-1, comparable to that of monolayer phosphorene. More remarkably, contrary to the bilayer phosphorene which possesses dramatically reduced carrier mobility compared to its monolayer counterpart, CaP3 bilayer possesse…
