2D Carrier Research Articles

From bulk effective mass to 2D carrier mobility accurate prediction via adversarial transfer learning

Data scarcity is one of the critical bottlenecks to utilizing machine learning in material discovery. Transfer learning can use existing big data to assist property prediction on small data sets, but the premise is that there must be a strong correlation between large and small data sets. To extend its applicability in scenarios with different properties and materials, here we develop a hybrid framework combining adversarial transfer learning and expert knowledge, which enables the direct prediction of carrier mobility of two-dimensional (2D) materials using the knowledge learned from bulk effective mass. Specifically, adversarial training ensures that only common knowledge between bulk and 2D materials is extracted while expert knowledge is incorporated to further improve the prediction accuracy and generalizability. Successfully, 2D carrier mobilities are predicted with the accuracy over 90% from only crystal structure, and 21 2D semiconductors with carrier mobilities far exceeding silicon and suitable bandgap are successfully screened out. This work enables transfer learning in simultaneous cross-property and cross-material scenarios, providing an effective tool to predict intricate material properties with limited data.

Nonequivalent Atomic Vibrations at Interfaces in a Polar Superlattice.

In heterostructures made from polar materials, e.g., AlN-GaN-AlN, the nonequivalence of the two interfaces is long recognized as a critical aspect of their electronic properties; in that, they host different 2D carrier gases. Interfaces play an important role in the vibrational properties of materials, where interface states enhance thermal conductivity and can generate unique infrared-optical activity. The nonequivalence of the corresponding interface atomic vibrations, however, is not investigated so far due to a lack of experimental techniques with both high spatial and high spectral resolution. Herein, the nonequivalence of AlN-(Al0.65Ga0.35)N and (Al0.65Ga0.35)N-AlN interface vibrations is experimentally demonstrated using monochromated electron energy-loss spectroscopy in the scanning transmission electron microscope (STEM-EELS) and density-functional-theory (DFT) calculations are employed to gain insights in the physical origins of observations. It is demonstrated that STEM-EELS possesses sensitivity to the displacement vector of the vibrational modes as well as the frequency, which is as critical to understanding vibrations as polarization in optical spectroscopies. The combination enables direct mapping of the nonequivalent interface phonons between materials with different phonon polarizations. The results demonstrate the capacity to carefully assess the vibrational properties of complex heterostructures where interface states dominate the functional properties.

Synthesis of the 2D Ternary Topological Insulator Bi2‐xSbxSe3 with a Low Carrier Concentration and Ultrahigh Carrier Mobility

AbstractHighcarrier concentration and low mobility in Bi2Se3 hide thetopological surface states (TSS). In the 2D ternary topological insulator (TI) Bi2–xSbxSe3,compensatory Sb doping regulates the carrier concentration and mobility withambipolar performance, together with the ultrathin thickness; these factorsmake the TSS in the 2D ternary TI Bi2–xSbxSe3 more observable. Here, a chemical vapor deposition (CVD) method is provided for synthesizing ultrathin Sb‐doped Bi2Se3 nanoplates with dimensions of 2–126 nm in thickness, 3–100 µm in lateral size, and an average Sb doping ranging from 0.15 ≤ x ≤ 0.75. Bi2–xSbxSe3 field effect transistors and Hall devices are manufactured to determine the carrier concentration and mobility of the obtained Bi2–xSbxSe3 nanoplates. These findings demonstrate that the 2D carrier concentration for Bi2–xSbxSe3 nanoplates can decrease up to 1.6 × 1012 cm–2. Furthermore, field‐effect mobility and Hall mobility of up to 3411 cm2 V–1s–1 and 6462 cm2 V–1 s–1, respectively, are realized. A strong ambipolar field effect is found in low‐carrier‐density Bi2–xSbxSe3 nanoplates, proving that these nanostructures may be freely controlled in terms of carrier type and concentration. The synthesis of high‐quality Bi2–xSbxSe3 nanoplates with low‐carrier concentration and high‐mobility provides a platform for investigating TI characteristics more clearly.

Diamond Electronics and Related Wideband Gap Semiconductors for High Temperature Applications

This presentation is focused on understanding the basic science of two-dimensional carrier systems in diamond-based semiconductor electronics. Over the course of the presentation, we will present the following: • Process technology for diamond power field effect transistors (FETs) based on two-dimensional (2D) carrier transport in subsurface boron delta-doped structures • The theory of carrier transport in diamond FETs with 2D conducting channels • The results from materials and defect characterization techniques to locate, characterize, and monitor radiation-induced defects in these structures over various timescales • New research directions in applying 2D conduction channels to ultra-wide bandgap semiconductor transistors based on diamond materials as well as related wide band gap semiconductors, • Understand the dominant failure mechanisms operative in diamond-based FETs exposed to ionizing and non-ionizing radiation.

Bulk plasmon-limited mobility in semiconductors: from bulk to nanowires

Analytical expressions are obtained for the low-field mobility in semiconductors for scattering of three-dimensional (3D), two-dimensional (2D), and one-dimensional (1D) charged carriers by bulk plasmons. The consideration is based on the quantum kinetic equation and model distribution function in form of a shifted Fermi distribution and includes calculations of the dielectric function of 3D, 2D and 1D carriers in the random phase approximation. The resulting analytical expressions give dependences of the plasmon limited mobility on the dimensionality of charge carrier system, their density, effective mass, temperature and confining dimensions. The plasmon limited mobility decreases as the dimensionality of the electron gas D decreases. The physical reason for this is an increase in the absolute value of the cutoff vector with a decrease in D. Comparison of our calculations with known experimental data shows that relative contribution of the electron–plasmon scattering to total mobility reaches a maximum in the temperature range 10–100 K and can be a few percent in bulk crystals, ten of percent in quantum wells, and is close to the experimental values in nanowires. A noticeable effect of the scattering 3D, 2D and 1D electrons by bulk plasmons on mobility is expected in semiconductors with a sufficiently high mobility of more than 105 cm2 V−1 s.

Minority carrier diffusion length in interface-confined PbS colloidal quantum dot (CQD): Effect of CQD surface modification on diffusion length in ultrathin PbS CQD films

Photocurrent microscopy (PCM) is a versatile tool for probing charge carrier transport associated with energy band bending at an interface. For the first time, we report the ligand-dependent electronic properties of interface-confined colloidal quantum dots (CQDs) near a metal electrode and gate dielectric layers using ultrathin lead sulfide (PbS) CQD films embedded in field effect transistors (FETs). We have compared the minority carrier (electron) diffusion length (MCDL) of ultrathin PbS CQD films treated with 1,2-ethanedithiol (EDT) and ammonium sulfide ((NH4)2S) using a bottom-contact FET structure in combination with PCM. We found that the MCDL was greater in the EDT-treated PbS CQDs than in the (NH4)2S-treated PbS CQDs. The MCDL at the 2D carrier accumulation layer was observed to depend on the concentration of the majority carrier (hole). During effective electrical channel formation by electrical gating, the MCDL decreased with hole accumulation (decreasing gate voltage) in the p-channel (NH4)2S-treated PbS CQD FET, whereas it remained similar in the EDT-treated PbS CQD FET. The effect of the majority carrier concentration on the MCDL was more pronounced in the (NH4)2S-treated sample than in the EDT-treated sample. The difference in the MCDL is attributed to a difference in the surface trap density caused by different ligand treatments.

Density-tuned effective metal-insulator transitions in two-dimensional semiconductor layers: Anderson localization or Wigner crystallization

Electrons (or holes) confined in 2D semiconductor layers have served as model systems for studying disorder and interaction effects for almost 50 years. In particular, strong disorder drives the metallic 2D carriers into a strongly localized Anderson insulator (AI) at low densities whereas pristine 2D electrons in the presence of no (or little) disorder should solidify into a Wigner crystal at low carrier densities. Since the disorder in 2D semiconductors is mostly Coulomb disorder arising from random charged impurities, the applicable physics is complex as the carriers interact with each other as well as with the random charged impurities through the same long-range Coulomb coupling. By critically theoretically analyzing the experimental transport data in depth using a realistic transport theory to calculate the low-temperature 2D resistivity as a function of carrier density in 11 different experimental samples covering 9 different materials, we establish, utilizing the Ioffe-Regel-Mott criterion for strong localization, a direct connection between the critical localization density for the 2D metal-insulator transition (MIT) and the sample mobility deep into the metallic state, which for clean samples could lead to a localization density low enough to make the transition appear to be a Wigner crystallization. We believe that the insulating phase is always an effective Coulomb disorder-induced localized AI, which may have short-range WC-like correlations at low carrier densities. Our theoretically calculated disorder-driven critical MIT density agrees with experimental findings in all 2D samples, even for the ultra-clean samples. In particular, the extrapolated critical density for the 2D MIT seems to vanish when the high-density mobility goes to infinity, indicating that transport probes a disorder-localized insulating ground state independent of how low the carrier density might be.

Superior performance and ultrafast response from CH3NH3PbI3 based UV–visible broadband photodetector using 1D carrier transport layers

We have designed and fabricated two perovskite-based photodetectors (PPDs) with 2D and 1D metal oxide carrier transport layers having the structure of ZnO thinfilm (TF)/CH3NH3PbI3/NiO TF (Device1) and ZnO nanowire (NW)/CH3NH3PbI3/NiO NW (Device2). Vertical and porous 1D carrier transport layers were fabricated using the advanced glancing angle deposition (GLAD) technique. The structure with 1D carrier transport layers in Device2 showed an enhanced optical absorption and emission as compared to 2D layered structure in Device1. The Device2 would enhance the responsivity (Rλ) upto 134 times in UV (390 nm) and 1350 times in visible (450 nm) region as compared to Device1. Moreover, the maximum detectivity (D*) values of 3.43 × 1011 Jones and 3.53 × 1011 Jones were observed for Device2 and 0.343 × 1011 and 0.35 × 1010 Jones for Device1 in UV and visible regions respectively. In addition to that, the Device2 also showed an external quantum efficiency (EQE) of 3.2 × 103% and 2.9 × 103% in UV and visible regions respectively. Furthermore, the Device2 showed an ultrafast device response with rise time and fall times of 0.17 s and 0.13 s respectively. The 1D carrier transport layers in PPDs can be used as good candidate for future broadband photodetectors (PDs).

Two-dimensional ambipolar carriers of giant density at the diamond/cubic-BN(111) interfaces: toward complementary logic and quantum applications.

The extremely difficult ambipolar doping activation greatly hinders the outstanding performance of diamond for electronic devices. The main concern has been devoted to surface conduction by two-dimensional (2D) carriers. 2D hole gas (2DHG) in the diamond is induced by surface transfer doping dominated by the adsorbate's status and faces stability issues. Meanwhile, a feasible way to generate the other essential ambipolar carrier-2D electron gas (2DEG) is still lacking. We propose that the well-lattice-matched diamond/cBN(111) interfaces can spontaneously induce 2D ambipolar carriers with a giant density of 4.17 × 1014 cm-2, an order higher than other competitors. 2DEG and 2DHG can be separately achieved near the hetero-interfaces consisting of C-N and C-B bonds, respectively. Interestingly, the robust 2D charges are derived from a novel bulk-induced polarization-discontinuity at the interfaces, which can be attributed to an unexpected non-zero formal polarization of centrosymmetric cBN along the [111] direction. The existence of 2D ambipolar carriers at the diamond/cBN(111) interfaces has resolved the missing n-type conduction in diamond, thus opening up possibilities for complementary logic applications. Additionally, the high density of quantum-confined 2D ambipolar carriers provides an excellent platform for strongly correlated systems, which could lead to novel quantum information processing applications.

Carrier trapping centers in a two-dimensional silica bilayer: Strongly localized shallow gap states and resonances induced by oxygen vacancies

Structural and electronic properties of neutral native defects in a two-dimensional ${\mathrm{SiO}}_{2}$ bilayer (2D-${\mathrm{SiO}}_{2}$) are examined using the SIESTA ab initio approach. We identify scissor and rotation modes of oxygen atoms, in the middle of Si-O-Si chains, as low-energy structural excitations responsible for the response of the 2D-${\mathrm{SiO}}_{2}$ lattice to the formation of all native defects in the present study. Furthermore, we find that oxygen native defects (single vacancies and interstitials) should be the most abundant defect species in thermal-equilibrated samples. Regarding native-defect electronic states, single oxygen vacancies and interstitials are found to be amphoteric trapping centers in 2D-${\mathrm{SiO}}_{2}$. Silicon vacancies and interstitials introduce several strongly localized states spanning a large fraction of the gap. Generally, we identify a marked tendency for the appearance of strongly spatially localized defect states, be their energies shallow or deep within the band gap, as well as the emergence of strongly localized resonances in the valence and/or conduction bands. Strong spatial localization of defect states, a hallmark of systems displaying trapping and polaronic effects, is a result of quantum confinement and enhanced Coulombic effects in this 2D system. Carrier trapping and polaron formation are thus expected to be a common feature of defect states and added carriers in 2D-${\mathrm{SiO}}_{2}$.

Valley polarization transition in a two-dimensional electron gas

We theoretically study transport signatures associated with a spontaneous two-valley to one-valley quantum phase transition in a two-dimensional electron gas (2DEG) tuned by decreasing the 2D carrier density, as claimed in a recent experiment [M. S. Hossain et al., Phys. Rev. Lett. 127, 116601 (2021)]. The key issue we focus on is whether the experimentally measured 2D resistivity as a function of carrier density is consistent (or not) with an underlying spontaneous valley-polarization transition as assumed uncritically in the experimental report. Our theoretical analysis is particularly germane since the experiment does not directly measure the change in the Fermi surface resulting from the valley polarization transition, but infers such a transition indirectly through transport measurements. We validate the experimental claim, showing that indeed the observed sudden change in the 2D resistivity is quantitatively consistent with a sudden change in the valley polarization from 2 to 1 at the critical density.

Effect of InGaN Channel on Radio‐Frequency Performance in High‐Electron‐Mobility Transistors with an InAlGaN Barrier

The effect of the InGaN channel on the performance of high‐electron‐mobility transistors (HEMTs) through the Silvaco Atlas simulator is investigated in detail. It is shown that the 2D electron gas (2DEG) density and carrier confinement of the device can be enhanced by replacing the GaN channel with the InGaN channel. The higher 2DEG density significantly increases the saturation drain current density, thus improving the current drive capability of the device. Meanwhile, better carrier confinement alleviates the short channel effects (SCEs) and traps state‐related current collapse in the GaN buffer, effectively improving the reliability of the device. Better carrier confinement also increases the current gain cutoff frequency (fT) and maximum oscillation frequency (fmax) to 133 and 226 GHz, while the fT and fmax of conventional GaN channel HEMTs are 104 and 167 GHz, respectively. These results indicate that AlInGaN/InGaN HEMTs achieve better performance in direct current (DC) and radio frequency (RF).

Ionic Liquid Gating of SrTiO3 Lamellas Fabricated with a Focused Ion Beam

In this work, we combine two previously incompatible techniques for defining electronic devices: shaping three-dimensional crystals by focused ion beam (FIB), and two-dimensional electrostatic accumulation of charge carriers. The principal challenge for this integration is nanometer-scale surface damage inherent to any FIB-based fabrication. We address this by using a sacrificial protective layer to preserve a selected pristine surface. The test case presented here is accumulation of 2D carriers by ionic liquid gating at the surface of a micron-scale SrTiO3 lamella. Preservation of surface quality is reflected in superconductivity of the accumulated carriers. This technique opens new avenues for realizing electrostatic charge tuning in materials that are not available as large or exfoliatable single crystals, and for patterning the geometry of the accumulated carriers.

Energy-dependent carrier scattering at weak localizations leading to decoupling of thermopower and conductivity

Deeper optimization in thermoelectric performance requires innovative methodologies to balance the trade-off between thermopower (S) and conductivity (σ). The energy-dependent scattering mechanism provides a promising way to decouple S and σ, however, the physical origin is still ambiguous. Here, the energy-dependent scattering is revisited and demonstrated by a graphene aerogel with the tunable curvature of graphene sheet in geometry. Interestingly, the 2D carrier state is delivered to the 3D graphene aerogel, besides the presence of weak-localization within transport gap. The curvature serves as a controller to turn on or off the weak-localization and the weak anti-localization by modulating the competition between the elastic inter- or intra-valley scattering and the inelastic back-scattering. In thermoelectricity, the curvature triggers a carrier concentration-independent increase in S owing to the energy-dependent scattering behavior of charge carriers at the weak-localizations. Moreover, the ultralow thermal conductivity of 0.042 W/(mK) is also achieved in graphene aerogels, depicting a “phonon-glass electron-crystal” characteristic. This study deepens a physical insight into the thermoelectric decoupling by the energy-dependent scattering mechanism and demonstrates its feasibility for thermoelectric optimization.

High-k perovskite gate oxide for modulation beyond 1014 cm-2.

Scaling down of semiconductor devices requires high-k dielectric materials to continue lowering the operating voltage of field-effect transistors (FETs) and storing sufficient charge on a smaller area. Here, we investigate the dielectric properties of epitaxial BaHf0.6Ti0.4O3 (BHTO), an alloy of perovskite oxide barium hafnate (BaHfO3) and barium titanate (BaTiO3). We found the dielectric constant, the breakdown field, and the leakage current to be 150, 5.0 megavolts per centimeter (MV cm−1), and 10−4 amperes per square centimeter at 2 MV cm−1, respectively. The results suggest that two-dimensional (2D) carrier density of more than n2D = 1014 per square centimeter (cm−2) could be modulated by the BHTO gate oxide. We demonstrate an n-type accumulation mode FET and direct suppression of more than n2D = 1014 cm−2 via an n-type depletion-mode FET. We attribute the large dielectric constant, high breakdown field, and low leakage current of BHTO to the nanometer scale stoichiometric modulation of hafnium and titanium.

Transport Properties of the LaInO3/BaSnO3 Interface Analyzed by Poisson-Schrödinger Equation

2DEG systems formed in quantum wells of semiconductor heterostructures have been instrumental in advancing science and technology for many decades. Here, we report two unique transport properties of 2DEG formed at the interface of two perovskite oxides ${\mathrm{La}\mathrm{In}\mathrm{O}}_{3}$ ($\mathrm{LIO}$) and ${\mathrm{Ba}\mathrm{Sn}\mathrm{O}}_{3}$ ($\mathrm{BSO}$): the peculiar $\mathrm{LIO}$ thickness dependence of the high two-dimensional (2D) carrier density ($n_{2{\rm{D}}}$) and the very narrow width of the quantum well. We analyze, via Poisson-Schr\"odinger simulation, how the various materials parameters affect the 2D carrier density and its profile when using the ``interface-polarization'' model in which the polarization exists only near the interface. Our simulations show that the known material parameters of $\mathrm{LIO}$ and $\mathrm{BSO}$ are capable of generating a deep and narrow quantum well as suggested by the experimental transport properties and reveal some distinct features of the $\mathrm{LIO}$/$\mathrm{BSO}$ interface from the conventional 2DEGs. Furthermore, they predict how the $\mathrm{LIO}$/$\mathrm{BSO}$ 2DEG will evolve as the defect density decreases.

Assessing the electrical activity of individual ZnO nanowires thermally annealed in air.

ZnO nanowires (NWs) are very attractive for a wide range of nanotechnological applications owing to their tunable electron concentration via structural and surface defect engineering. A 2D electrical profiling of these defects is necessary to understand their restructuring dynamics during engineering processes. Our work proposes the exploration of individual ZnO NWs, dispersed on a SiO2/p++-Si substrate without any embedding matrix, along their axial direction using scanning capacitance microscopy (SCM), which is a useful tool for 2D carrier profiling. ZnO NWs are hydrothermally grown using 0–20 mM ammonium hydroxide (NH4OH), one of the reactants of the hydrothermal synthesis, and then annealed in a tube oven at 350 °C/1.5–15 h and 450 °C/15 h. While the as-grown ZnO NWs are highly conductive, the annealed ones exhibit significant SCM data with a high signal-to-noise ratio and temperature-dependent uniformity. The SCM signal of ZnO NWs is influenced by both their reduced dimensionality and the electron screening degree inside them. The electrical activity of ZnO NWs is only observed below a critical defect concentration that depends on the annealing temperature. Optimal SCM signals of 200 and 147 mV are obtained for samples with 0 and 20 mM NH4OH, respectively, and annealed at 350 °C/15 h. The corresponding electron concentrations of 3.27 × 1018 and 4.58 × 1018 cm−3 were estimated from the calibration curve, respectively. While thermal treatment in air of ZnO NWs is an effective approach to tune the defect density, 2D electrical mapping enables identifying their optimal electrical characteristics, which could help to boost the performance of final devices exploiting their coupled semiconducting–piezoelectric properties.

Minority carrier decay length extraction from scanning photocurrent profiles in two-dimensional carrier transport structures

Carrier transport was studied both numerically and experimentally using scanning photocurrent microscopy (SPCM) in two-dimensional (2D) transport structures, where the structure size in the third dimension is much smaller than the diffusion length and electrodes cover the whole terminal on both sides. Originally, one would expect that with increasing width in 2D transport structures, scanning photocurrent profiles will gradually deviate from those of the ideal one-dimensional (1D) transport structure. However, the scanning photocurrent simulation results surprisingly showed almost identical profiles from structures with different widths. In order to clarify this phenomenon, we observed the spatial distribution of carriers. The simulation results indicate that the integrated carrier distribution in the 2D transport structures with finite width can be well described by a simple-exponential-decay function with the carrier decay length as the fitting parameter, just like in the 1D transport structures. For ohmic-contact 2D transport structures, the feasibility of the fitting formula from our previous 1D analytical model was confirmed. On the other hand, the application of a simple-exponential-decay function in scanning photocurrent profiles for the diffusion length extraction in Schottky-contact 2D transport structures was also justified. Furthermore, our simulation results demonstrate that the scanning photocurrent profiles in the ohmic- or Schottky-contact three-dimensional (3D) transport structures with electrodes covering the whole terminal on both sides will reduce to those described by the corresponding 1D fitting formulae. Finally, experimental SPCM on a p-type InGaAs air-bridge two-terminal thin-film device was carried out. The measured photocurrent profiles can be well fitted by the specific fitting formula derived from our previous 1D analytical model and the extracted electron mobility-lifetime product of this thin-film device is 6.6 × 10–7 cm2·V−1. This study allows us to extract the minority carrier decay length and to obtain the mobility-lifetime product which can be used to evaluate the performance of 2D carrier transport devices.

Investigation of quantum oscillations in ZnO/CdO heterostructure

We report on the observation of the Shubnikov–de Haas oscillation in a polycrystalline ZnO/CdO heterostructure grown on a silicon substrate by a spray pyrolysis technique in temperatures below 6 K. From the analysis of these quantum oscillations, we obtained the cyclotronic effective mass, the 2D carrier concentration, and the thickness of the two-dimensional electron gas in the interface of the two layers. The results suggest that a two-dimensional electron gas is successfully obtained at the ZnO/CdO interface.

Integer quantum Hall effect measurement analysis in Ga0.68In0.32N0.017As/GaAs quantum wells with various annealing time

The integer quantum Hall Effect (QHE) and magnetoresistance measurements are carried out at temperature range 1.8 K and 40 K under a magnetic field up to 11 T to investigate the influence of the thermal annealing process and thermal annealing time on the transport parameters of as-grown and annealed n-type Ga0.68In0.32N0.017As0.983/GaAs quantum well (QW) structures. The electron effective mass, two-dimensional (2D) carrier density, quantum lifetime, and Fermi level are obtained by analyzing both oscillatory parts of magnetoresistance measurements (Shubnikov de Haas oscillations) and QHE oscillations. The compatibility of two different methods with each other is discussed, and the dependence of physical parameters obtained from both methods on annealing time was discussed. Our results reveal that the thermal annealing process and annealing duration time affect 2D carrier density, electron effective mass, quantum lifetime, transport lifetime, and Fermi level. The increase in annealing time showed that μt/μq ratios caused the shift from long-range scattering to short-range scattering in the low-temperature region.