arXiv subjects

Yaohua Tan

Publications and source records attributed to Yaohua Tan.

At least 19 recordsLinked to original sources

arXiv2021

Biaxial Strain Modulated Valence Band Engineering in III-V Digital Alloys

Some III-V digital alloy avalanche photodiodes exhibit low excess noise. These alloys have low hole ionization coefficients due to presence of small 'minigaps', enhanced effective mass and large separation between light-hole and split-off bands in the valence band. In this letter, an explanation for the formation of the minigaps using a tight binding picture is provided. Furthermore, we demonstrate that decreasing substrate lattice constant can increase the minigap size and mass in the transport direction. This leads to reduced quantum tunneling and phonon scattering of the holes. Finally, we illustrate the band structure modification with substrate lattice constant for other III-V digital alloys.

cond-mat.mtrl-sci↗

arXiv2021

Solving the L1 regularized least square problem via a box-constrained smooth minimization

In this paper, an equivalent smooth minimization for the L1 regularized least square problem is proposed. The proposed problem is a convex box-constrained smooth minimization which allows applying fast optimization methods to find its solution. Further, it is investigated that the property "the dual of dual is primal" holds for the L1 regularized least square problem. A solver for the smooth problem is proposed, and its affinity to the proximal gradient is shown. Finally, the experiments on L1 and total variation regularized problems are performed, and the corresponding results are reported.

math.OC↗

arXiv2021

Atomistic transport modeling, design principles and empirical rules for Low Noise III-V Digital Alloy Avalanche Photodiodes

A series of III-V ternary and quarternary digital alloy avalanche photodiodes (APDs) have recently been seen to exhibit very low excess noise. Using band inversion of an environment-dependent atomistic tight binding description of short period superlattices, we argue that a combination of increased effective mass, minigaps and band split-off are primarily responsible for the observed superior performance. These properties significantly limit the ionization rate of one carrier type, either holes or electrons, making the avalanche multiplication process unipolar in nature. The unipolar behavior in turn reduces the stochasticity of the multiplication gain. The effects of band folding on carrier transport are studied using the Non-Equilibrium Green's Function Method that accounts for quantum tunneling, and Boltzmann Transport Equation model for scattering. It is shown here that carrier transport by intraband tunneling and optical phonon scattering are reduced in materials with low excess noise. Based on our calculations, we propose five simple inequalities that can be used to approximately evaluate the suitability of digital alloys for designing low noise photodetectors. We evaluate the performance of multiple digital alloys using these criteria and demonstrate their validity.

cond-mat.mes-hall↗

arXiv2021

Full band Monte Carlo simulation of AlInAsSb digital alloys

Avalanche photodiodes fabricated from AlInAsSb grown as a digital alloy exhibit low excess noise. In this paper, we investigate the band structure-related mechanisms that influence impact ionization. Band-structures calculated using an empirical tight-binding method and Monte Carlo simulations reveal that the mini-gaps in the conduction band do not inhibit electron impact ionization. Good agreement between the full band Monte Carlo simulations and measured noise characteristics is demonstrated.

cond-mat.mtrl-sci↗

arXiv2021

Characterization of band offsets in Al$_x$In$_{1-x}$As$_y$Sb$_{1-y}$ alloys with varying Al composition

The unprecedented wide bandgap tunability (~1 eV) of Al$_x$In$_{1-x}$As$_y$Sb$_{1-y}$ latticed-matched to GaSb enables the fabrication of photodetectors over a wide range from near-infrared to mid-infrared. In this paper, the valence band-offsets in AlxIn1-xAsySb1-y with different Al compositions are analyzed by tight-binding calculations and X-ray photoelectron spectroscopy (XPS) measurements. The observed weak variation in valence band offsets is consistent with the lack of any minigaps in the valence band, compared to the conduction band.

cond-mat.mtrl-sci↗

arXiv2021

A Physics Based Multiscale Compact Model of p-i-n Avalanche Photodiodes

III-V material based digital alloy Avalanche Photodiodes (APDs) have recently been found to exhibit low noise similar to Silicon APDs. The III-V materials can be chosen to operate at any wavelength in the infrared spectrum. In this work, we present a physics-based SPICE compatible compact model for APDs built from parameters extracted from an Environment-Dependent Tight Binding (EDTB) model calibrated to ab-initio Density Functional Theory (DFT) and Monte Carlo (MC) methods. Using this approach, we can accurately capture the physical characteristics of these APDs in integrated photonics circuit simulations.

physics.ins-det↗

arXiv2019

Computational search for ultrasmall and fast skyrmions in the Inverse Heusler family

Skyrmions are magnetic excitations that are potentially ultrasmall and topologically protected, making them interesting for high-density all-electronic ultrafast storage applications. While recent experiments have confirmed the existence of various types of skyrmions, their typical sizes are much larger than traditional domain walls, except at very low temperature. In this work, we explore the optimal material parameters for hosting ultra-small, fast, and room temperature stable skyrmions. As concrete examples, we explore potential candidates from the inverse Heusler family. Using first-principles calculations of structural and magnetic properties, we identify several promising ferrimagnetic inverse Heusler half-metal/near half-metals and analyze their phase space for size and metastability.

cond-mat.mes-hall↗

arXiv2018

Machine learning electron correlation in a disordered medium

Learning from data has led to a paradigm shift in computational materials science. In particular, it has been shown that neural networks can learn the potential energy surface and interatomic forces through examples, thus bypassing the computationally expensive density functional theory calculations. Combining many-body techniques with a deep learning approach, we demonstrate that a fully-connected neural network is able to learn the complex collective behavior of electrons in strongly correlated systems. Specifically, we consider the Anderson-Hubbard (AH) model, which is a canonical system for studying the interplay between electron correlation and strong localization. The ground states of the AH model on a square lattice are obtained using the real-space Gutzwiller method. The obtained solutions are used to train a multi-task multi-layer neural network, which subsequently can accurately predict quantities such as the local probability of double occupation and the quasiparticle weight, given the disorder potential in the neighborhood as the input.

cond-mat.str-el↗

arXiv2018

Modeling tunnel field effect transistors - from interface chemistry to non-idealities to circuit level performance

We present a quasi-analytical model for Tunnel Field Effect Transistors (TFETs) that includes the microscopic physics and chemistry of interfaces and non-idealities. The ballistic band-to-band tunneling current is calculated by modifying the well known Simmons equation for oxide tunneling, where we integrate the Wentzel-Kramers-Brillouin (WKB) tunneling current over the transverse modes. We extend the Simmons equation to finite temperature and non-rectangular barriers using a two-band model for the channel material and an analytical channel potential profile obtained from Poisson's equation. The two-band model is parametrized first principles by calibrating with hybrid Density Functional Theory calculations, and extended to random alloys with a band unfolding technique. Our quasi-analytical model shows quantitative agreement with ballistic quantum transport calculations. On top of the ballistic tunnel current we incorporate higher order processes arising at junctions coupling the bands, specifically interface trap-assisted tunneling and Auger generation processes. Our results suggest that both processes significantly impact the off-state characteristics of the TFETs - Auger in particular being present even for perfect interfaces. We show that our microscopic model can be used to quantify the TFET performance on the atomistic interface quality. Finally, we use our simulations to quantify circuit level metrics such as energy consumption.

cond-mat.mtrl-sci↗

arXiv2018

A Multiscale Materials-to-Systems Modeling of Polycrystalline Pb-Salt Photodetectors

We present a physics based multiscale materials-to-systems model for polycrystalline $PbSe$ photodetectors that connects fundamental material properties to circuit level performance metrics. From experimentally observed film structures and electrical characterization, we first develop a bandstructure model that explains carrier-type inversion and large carrier lifetimes in sensitized films. The unique bandstructure of the photosensitive film causes separation of generated carriers with holes migrating to the inverted $PbSe|PbI_2$ interface, while electrons are trapped in the bulk of the film inter-grain regions. These flows together forms the 2-current theory of photoconduction that quantitatively captures the $I-V$ relationship in these films. To capture the effect of pixel scaling and minority carrier blocking, we develop a model for the metallic contacts with the detector films based on the relative workfunction differences. We also develop detailed models for various physical parameters such as mobility, lifetime, quantum efficiency, noise etc. that connect the detector performance metrics such as responsivity $\mathcal{R}$ and specific detectivity $\mathcal{D^*}$ intimately with material properties and operating conditions. A compact Verilog-A based SPICE model is developed which can be directly combined with advanced digital ROIC cell designs to simulate and optimize high performance FPAs which form a critical component in the rapidly expanding market of self-driven automotive, IoTs, security, and embedded applications.

cond-mat.mes-hall↗

arXiv2018

Anomalous heat flow in 8-$Pmmn$ borophene with tilted Dirac cones

We analytically establish an anomalous transverse flow of heat in 8-\textit{Pmmn} borophene, one of the several two-dimensional (2D) allotropes of Boron (B). The dispersion of this allotrope contains a pair of anisotropic and tilted Dirac cones which are gapped by placing the 2D \textit{B} sheet under an intense circularly-polarized illumination. A gap in the Dirac dispersion leads to a finite Berry curvature and connected anomalous Hall effects. In the case of thermoelectrics, this manifests as a heat current perpendicular to the temperature gradient - the thermal Hall effect. A quantitative calculation of the attendant thermal Hall conductivity reveals dependence on the intrinsic anisotropy and tilt of the Dirac cone. Further, by estimating the longitudinal thermal conductivity using the Weidemann-Franz law, we also outline steps to compute the thermal Hall angle that gauges the generation efficiency of such transverse heat processes. Finally, we touch upon the idea of thermal rectification wherein the direction of flow of the anomalous heat reverses through a simple switch of the polarization of incident light and is of interest in thermal logic circuits.

cond-mat.mtrl-sci↗

arXiv2017

Switching Mechanism and the Scalability of vertical-TFETs

In this work, vertical tunnel field-effect transistors (v-TFETs) based on vertically stacked heretojunctions from 2D transition metal dichalcogenide (TMD) materials are studied by atomistic quantum transport simulations. The switching mechanism of v-TFET is found to be different from previous predictions. As a consequence of this switching mechanism, the extension region, where the materials are not stacked over is found to be critical for turning off the v-TFET. This extension region makes the scaling of v-TFETs challenging. In addition, due to the presence of both positive and negative charges inside the channel, v-TFETs also exhibit negative capacitance. As a result, v-TFETs have good energy-delay products and are one of the promising candidates for low power applications.

cond-mat.mtrl-sci↗

arXiv2017

Graphene Klein tunnel transistors for high speed analog RF applications

We propose Graphene Klein tunnel transistors (GKTFET) as a way to enforce current saturation while maintaining large mobility for high speed radio frequency (RF) applications. The GKTFET consists of a sequence of angled graphene p-n junctions (GPNJs). Klein tunneling creates a collimation of electrons across each GPNJ, so that the lack of substantial overlap between transmission lobes across successive junctions creates a gate-tunable transport gap without significantly compromising the on-current. Electron scattering at the device edge tends to bleed parasitic states into the gap, but the resulting pseudogap is still sufficient to create a saturated output ($I_D-V_D$) characteristic and a high output resistance. The modulated density of states generates a higher transconductance ($g_m$) and unity current gain cut-off frequency ($f_T$) than GFETs. More significantly the high output resistance makes the unity power gain cut-off frequency ($f_{max}$) of GKTFETs considerably larger than GFETs, making analog GKTFET potentially useful for RF electronics. Our estimation shows the $f_T$/$f_{max}$ of a GKTFET with 1 $μ$m channel reaches 33 GHz/17 GHz, and scale up to 350 GHz/53 GHz for 100 nm channel (assuming a single, scalable trapezoidal gate). The $f_{max}$ of a GKTFET is 10 times higher than a GFET with the same channel length.

physics.app-ph↗

arXiv2017

Spintronic signatures of Klein tunneling in topological insulators

Klein tunneling, the perfect transmission of normally incident Dirac electrons across a potential barrier, has been widely studied in graphene and explored to design switches, albeit indirectly. We show that Klein tunneling maybe easier to detect for spin-momentum locked electrons crossing a PN junction along a three-dimensional topological insulator surface. In these topological insulator PN junctions (TIPNJs), the spin texture and momentum distribution of transmitted electrons can be measured electrically using a ferromagnetic probe for varying gate voltages and angles of current injection. Based on transport models across a TIPNJ, we show that the asymmetry in the potentiometric signal between PP and PN junctions and its overall angular dependence serve as a direct signature of Klein tunneling.

cond-mat.mes-hall↗

arXiv2017

Imparity in valley population for single layer transition metal dichalcogenides under elliptical polarization

The illumination of a single-layer transition metal dichalcogenide with an elliptically-polarized light beam is shown to give rise to a differential rate of inter-band carrier excitation between the valence and conduction states around the valley edges, $ K $ and $ K^{'} $. This rate with a linear dependence on the beam ellipticity and inverse of the optical gap manifests as an asymmetric Fermi distribution between the valleys or a non-equilibrium population which under an external field and a Berry curvature induced anomalous velocity results in an externally tunable finite valley Hall current. Surface imperfections that influence the excitation rates are included through the self-consistent Born approximation. Additionally, we show that circular dichroism in the vicinity of the valley edges also exhibits an ellipticity dependence.

cond-mat.mtrl-sci↗

arXiv2016

Transport in vertically stacked hetero-structures from 2D materials

In this work, the transport of tunnel field-effect transistor (TFET) based on vertically stacked hereto-structures from 2D transition metal dichalcogenide (TMD) materials is investigated by atomistic quantum transport simulations. WTe2-MoS2 combination was chosen due to the formation of a broken gap hetero-junction which is desirable for TFETs. There are two assumptions behind the MoS2-WTe2 hetero-junction tight binding (TB) model: 1) lattice registry. 2) The $S-Te$ parameters being the average of the $S-S$ and $Te-Te$ parameters of bilayer MoS2 and WTe2. The computed TB bandstructure of the hetero-junction agrees well with the bandstructure obtained from density functional theory (DFT) in the energy range of interest for transport. NEGF (Non-Equilibrium Green$'$s Function) equations within the tight binding description is then utilized for device transfer characteristic calculation. Results show 1) energy filtering is the switching mechanism; 2) the length of the extension region is critical for device to turn off; 3) MoS2-WTe2 interlayer TFET can achieve a large on-current of $1000 μA/μm$ with $V_{DD} = 0.3V$, which suggests interlayer TFET can solve the low ON current problem of TFETs and can be a promising candidate for low power applications.

cond-mat.mtrl-sci↗

arXiv2016

First principles study and empirical parametrization of twisted bilayer MoS2 based on band-unfolding

We explore the band structure and ballistic electron transport in twisted bilayer $\textrm{MoS}_2$ using Density Functional Theory (DFT). The sphagetti like bands are unfolded to generate band structures in the primitive unit cell of the original un-twisted $\textrm{MoS}_2$ bilayer and projected onto an individual layer. The corresponding twist angle dependent indirect bandedges are extracted from the unfolded band structures. Based on a comparison within the same primitive unit cell, an efficient two band effective mass model for indirect conduction and valence valleys is created and parameterized by fitting the unfolded band structures. With the two band effective mass model, transport properties - specifically, we calculate the ballistic transmission in arbitrarily twisted bilayer $\textrm{MoS}_2$.

cond-mat.mtrl-sci↗

arXiv2016

Transferable tight binding model for strained group IV and III-V materials and heterostructures

It is critical to capture the effect due to strain and material interface for device level transistor modeling. We introduced a transferable sp3d5s* tight binding model with nearest neighbor interactions for arbitrarily strained group IV and III-V materials. The tight binding model is parameterized with respect to Hybrid functional(HSE06) calculations for varieties of strained systems. The tight binding calculations of ultra small superlattices formed by group IV and group III-V materials show good agreement with the corresponding HSE06 calculations. The application of tight binding model to superlattices demonstrates that transferable tight binding model with nearest neighbor interactions can be obtained for group IV and III-V materials.

cond-mat.mtrl-sci↗