arXiv subjects

Yee Sin Ang

Publications and source records attributed to Yee Sin Ang.

At least 73 records · Page 4Linked to original sources

arXiv2023

Intrinsic persistent spin helix in 2D T-XY (X$\neq$Y=P, As, Sb and Bi)

The persistent spin helix (PSH) is robust against spin-independent scattering and renders an extremely long spin lifetime, which can improve the performance of potential spintronic devices. To achieve the PSH, a unidirectional spin configuration is required in the momentum space. Here, T-XY (X$\neq$Y=P, As, Sb and Bi) monolayers with dynamical, mechanical and thermal stabilities are predicted to intrinsically possess PSH. Due to the $C_{2\upsilon}$ point-group symmetry, a unidirectional spin configuration is preserved in the out-of-plane direction for both conduction and valence bands around the high-symmetry $Γ$ point. That is, the expectation value of the spin $S$ only has the out-of-plane component $S_z$. The application of an out-of-plane external electric field can induce in-plane components $S_x$ and $S_y$, thus offering a promising platform for the on-off logical functionality of spin devices. Our work reveals a new family of T-phase two-dimensional (2D) materials, which could provide promising applications in spintronic devices.

cond-mat.mtrl-sci↗

arXiv2023

Designer Edge States in Fractional Polarization Insulators

We theoretically investigated the topological-protected edge states (TESs) in an anisotropic honeycomb lattice with mirror and chiral symmetries, characterized by an alternative topological invariant - fractional polarization (FP), rather than the conventional Chern number. This system termed an FP insulator is a potential platform for edge-state engineering due to its disconnected TESs. These disconnected and robust TESs are susceptible to perturbative chiral symmetry-breaking terms which can generate various patterns including the vanishing helical, spin-polarized, and chiral TESs. Moreover, helical and chiral TES can be achieved by the finite size effect, not possible from the aforementioned terms alone. The demonstration of these various TES in an FP-insulator offers an alternative route in designing reconfigurable two-dimensional nanoelectronic devices.

cond-mat.mes-hall↗

arXiv2023

Piezoelectric altermagnetism and spin-valley polarization in Janus monolayer $\mathrm{Cr_2SO}$

The altermagnetism can achieve spin-split bands in collinear symmetry-compensated antiferromagnets. Here, we predict altermagnetic order in Janus monolayer $\mathrm{Cr_2SO}$ with eliminated inversion symmetry, which can realize the combination of piezoelectricity and altermagnetism in a two-dimensional material, namely 2D piezoelectric altermagnetism. It is found that $\mathrm{Cr_2SO}$ is an altermagnetic semiconductor, and the spin-split bands of both valence and conduction bands are near the Fermi level. The $\mathrm{Cr_2SO}$ has large out-of-plane piezoelectricity ($|d_{31}|$$=$0.97 pm/V), which is highly desirable for ultrathin piezoelectric device application. Due to spin-valley locking, both spin and valley can be polarized by simply breaking the corresponding crystal symmetry with uniaxial strain. Our findings provide a platform to integrate spin, piezoelectricity and valley in a single material, which is useful for multi-functional device applications.

cond-mat.mtrl-sci↗

arXiv2023

Universal model for electron thermal-field emission from two-dimensional semimetals

We present the theory of out-of-plane (or vertical) electron thermal-field emission from 2D semimetals. We show that the current-voltage-temperature characteristic is well-captured by a universal scaling relation applicable for broad classes of 2D semimetals, including graphene and its few-layer, nodal point semimetal, Dirac semimetal at the verge of topological phase transition and nodal line semimetal. Here an important consequence of the universal emission behavior is revealed: in contrast to the common expectation that band topology shall manifest differently in the physical observables, band topologies in two spatial dimension are indistinguishable from each others and bear no special signature in the electron emission characteristics. Our findings represent the quantum extension of the universal semiclassical thermionic emission scaling law in 2D materials, and provide the theoretical foundations for the understanding of electron emission from cathode and charge interface transport for the design of 2D-material-based vacuum nanoelectronics.

cond-mat.mes-hall↗

arXiv2023

Universal Model of Optical-Field Electron Tunneling from Two-Dimensional Materials

We develop analytical models of optical-field electron tunneling from the edge and surface of two-dimensional (2D) materials, including the effects of reduced dimensionality, non-parabolic energy dispersion, band anisotropy, quasi-time dependent tunneling and emission dynamics indueced by the laser field. We discover a universal scaling between the tunneling current density $J$ and the laser electric field $F$: In($J/|F|^β)\propto1/|F|$ with $β= 3 / 2$ in the edge emission and $β= 1$ in the vertical surface emission, which both are distinctive from the traditional Fowler-Nordheim (FN) model of $β= 2$. The current density exhibits an unexpected high-field saturation effect due to the reduced dimensionality of 2D materials, which is completely different from the space-charge saturation commonly observed in traditional bulk materials. Our results reveal the dc bias as an efficient method in modulating the optical-field tunneling sub-optical-cycle emission characteristics. Importantly, our model is in excellent agreement with a recent experiment on graphene. Our findings offer a theoretical foundation for the understanding of optical-field tunneling emission from the 2D material system, which is useful for the development of 2D-material based optoelectronics and vacuum nanoelectronics.

cond-mat.mes-hall↗

arXiv2023

Janus monolayer ScXY (X$\neq$Y=Cl, Br and I) for piezoelectric and valleytronic application: a first-principle prediction

Coexistence of ferromagnetism, piezoelectricity and valley in two-dimensional (2D) materials is crucial to advance multifunctional electronic technologies. Here, Janus ScXY (X$\neq$Y=Cl, Br and I) monolayers are predicted to be in-plane piezoelectric ferromagnetic (FM) semiconductors with dynamical, mechanical and thermal stabilities. The predicted piezoelectric strain coefficients $d_{11}$ and $d_{31}$ (absolute values) are higher than ones of most 2D materials. Moreover, the $d_{31}$ (absolute value) of ScClI reaches up to 1.14 pm/V, which is highly desirable for ultrathin piezoelectric device application. To obtain spontaneous valley polarization, charge doping are explored to tune the direction of magnetization of ScXY. By appropriate hole doping, their easy magnetization axis can change from in-plane to out-of-plane, resulting in spontaneous valley polarization. Taking ScBrI with 0.20 holes per f.u. as a example, under the action of an in-plane electric field, the hole carriers of K valley turn towards one edge of the sample, which will produce anomalous valley Hall effect (AVHE), and the hole carriers of $Γ$ valley move in a straight line. These findings could pave the way for designing piezoelectric and valleytronic devices.

cond-mat.mtrl-sci↗

arXiv2023

Quantum Shot Noise Signatures of Two-Dimensional Semi-Dirac System

Two-dimensional ($2$D) semi-Dirac systems, such as $2$D black phosphorus and arsenene, can exhibit a rich topological phase transition between insulating, semi-Dirac, and band inversion phases when subjected to an external modulation. How these phase transitions manifest within the quantum transport and shot noise signatures remain an open question thus far. Here, we show that the Fano factor converges to the universal $F\approx0.179$ at the semi-Dirac phase, and transits between the sub-Poissonian ($F\approx1/3$) and the Poissonian shot noise ($F\approx1$) limit at the band inversion and the insulating phase, respectively. Furthermore, the conductance of $2$D semi-Dirac system converges to the contrasting limit of $G/G_0 \rightarrow 1/d$ and $G/G_0 \rightarrow0$ at the band inversion and the insulating phases, respectively. The quantum tunneling spectra exhibits a peculiar coexistence of massless and massive Dirac quasiparticles in the band inversion regime, thus providing a versatile sandbox to study the tunneling behavior of various Dirac quasiparticles. These findings reveal the rich interplay between band topology and quantum transport signatures, which may serve as smoking gun signatures for the experimental studies of semi-Dirac systems near topological phase transition.

cond-mat.mes-hall↗

arXiv2023

Proposal for valleytronic materials: ferrovalley metal and valley gapless semiconductor

Valleytronic materials can provide new degrees of freedom to future electronic devices. In this work, the concepts of the ferrovalley metal (FVM) and valley gapless semiconductor (VGS) are proposed, which can be achieved in valleytronic bilayer systems by electric-field tuning, where the interaction between out-of-plane ferroelectricity and A-type antiferromagnetism can induce layer-polarized anomalous valley Hall (LP-AVH) effect. The K and -K valleys of FVM are both metallic, and electron and hole carriers simultaneously exist. In the extreme case, the FVM can become VGS by analogizing spin gapless semiconductor (SGS). Moreover, it is proposed that the valley splitting enhancement and valley polarization reversal can be achieved by electric field in valleytronic bilayer systems. Taking the bilayer $\mathrm{RuBr_2}$ as an example, our proposal is confirmed by the first-principle calculations. The FVM and VGS can be achieved in bilayer $\mathrm{RuBr_2}$ by applying electric field. With appropriate electric field range, increasing electric field can enhance valley splitting, and the valley polarization can be reversed by flipping electric field direction. To effectively tune valley properties by electric field in bilayer systems, the parent monolayer should possess out-of-plane magnetization, and have large valley splitting. Our results shed light on the possible role of electric field in tuning valleytronic bilayer systems, and provide a way to design the ferrovalley-related material by electric field.

cond-mat.mtrl-sci↗

arXiv2022

Semimetal Contacts to Monolayer Semiconductor: Weak Metalization as an Effective Mechanism to Schottky Barrier Lowering

Recent experiment has uncovered semimetal bismuth (Bi) as an excellent electrical contact to monolayer MoS$_2$ with ultralow contact resistance. The contact physics of the broader semimetal/monolayer-semiconductor family beyond Bi/MoS$_2$, however, remains largely unexplored thus far. Here we perform a comprehensive first-principle density functional theory investigation on the electrical contact properties between six archetypal two-dimensional (2D) transition metal dichalcogenide (TMDC) semiconductors, i.e. MoS$_2$, WS$_2$, MoSe$_2$, WSe$_2$, MoTe$_2$ and WTe$_2$, and two representative types of semimetals, Bi and antimony (Sb). As Bi and Sb work functions energetically aligns well with the TMDC conduction band edge, Ohmic or nearly-Ohmic $n$-type contacts are prevalent. The interlayer distance of semimetal/TMDC contacts are significantly larger than that of the metal/TMDC counterparts, which results in only weak metalization of TMDC upon contact formation. Intriguingly, such weak metalization generates semimetal-induced gap states (MIGS) that extends below the conduction band minimum, thus offering an effective mechanism to reduce or eliminate the $n$-type Schottky barrier height (SBH) while still preserving the electronic structures of 2D TMDC. A modified Schottky-Mott rule that takes into account SMIGS, interface dipole potential, and Fermi level shifting is proposed, which provides an improved agreement with the DFT-simulated SBH. We further show that the tunneling-specific resistivity of Sb/TMDC contacts are generally lower than the Bi counterparts, thus indicating a better charge injection efficiency can be achieved through Sb contacts. Our findings reveal the promising potential of Bi and Sb as excellent companion electrode materials for advancing 2D semiconductor device technology.

cond-mat.mtrl-sci↗

arXiv2022

Approaching intrinsic threshold breakdown voltage and ultra-high gain in graphite/InSe Schottky photodetector

Realizing both ultra-low breakdown voltage and ultra-high gain has been one of the major challenges in the development of high-performance avalanche photodetector. Here, we report that an ultra-high avalanche gain of 3*10^5 can be realized in the graphite/InSe Schottky photodetector at a breakdown voltage down to 5.5 V. Remarkably, the threshold breakdown voltage can be further reduced down to 1.8 V by raising the operating temperature, approaching the theoretical limit of 1.5E_g/e with E_g the band gap of semiconductor. We develop a two-dimensional impact ionization model and uncover that observation of high gain at low breakdown voltage arises from reduced dimensionality of electron-phonon (e-ph) scattering in the layered InSe flake. Our findings open up a promising avenue for developing novel weak-light detectors with low energy consumption and high sensitivity.

physics.app-ph↗

arXiv2022

2D Janus Niobium Oxydihalide NbO$XY$: Multifunctional High-Mobility Piezoelectric Semiconductor for Electronics, Photonics and Sustainable Energy Applications

Two-dimensional (2D) niobium oxydihalide NbOI$_2$ has been recently demonstrated as an excellent in-plane piezoelectric and nonlinear optical materials. Here we show that Janus niobium oxydihalide, NbO$XY$ (X, Y = Cl, Br, I and X$\neq$Y), is a multifunctional anisotropic semiconductor family with exceptional piezoelectric, electronic, photocatalytic and optical properties. NbO$XY$ are stable and mechancially flexible monolayers with band gap around the visible light regime of $\sim 1.9$ eV. The anisotropic carrier mobility of NbO$XY$ lies in the range of $10^3 \sim 10^4$ cm$^2$V$^{-1}$s$^{-1}$, which represents some of the highest among 2D semiconductors of bandgap $\gtrsim 2$ eV. Inversion symmetry breaking in Janus NbO$XY$ generates sizable out-of-plane $d_{31}$ piezoelectric response while still retaining a strong in-plane piezoelectricity. Remarkably, NbO$XY$ exhibits an additional out-of-plane piezoelectric response, $d_{32}$ as large as 0.55 pm/V. G$_0$W$_0$-BSE calculation further reveals the strong linear optical dichroism of NbO$XY$ in the visible-to-ultraviolet regime. The optical absorption peaks with $14\sim18$ \% in the deep UV regime ($5\sim6$ eV), outperforming the vast majority of other 2D materials. The high carrier mobility, strong optical absorption, sizable built-in electric field and band alignment compatible with overall water splitting further suggest the strengths of NbO$XY$ in energy conversion application. We further propose a directional stress sensing device to demonstrate how the out-of-plane piezoelectricity can be harnessed for functional device applications. Our findings unveil NbO$XY$ as an exceptional multifunctional 2D semiconductor for flexible electronics, optoelectronics, UV photonics, piezoelectric and sustainable energy applications.

cond-mat.mtrl-sci↗

arXiv2022

Lanthanum Oxyhalide Monolayers: An Exceptional Dielectric Companion to Two-Dimensional Semiconductors

Two-dimensional (2D) layered dielectrics offers a compelling route towards the design of next-generation ultimately compact nanoelectronics. Motivated by recent high-throughput computational prediction of LaO$X$ ($X$ = Br, Cl) as an exceptional 2D dielectrics that significantly outperforms HfO$_2$ even in the monolyaer limit, we investigate the interface properties between LaOX and the archetypal 2D semiconductors of monolayer transition metal dichacolgenides (TMDCs) $M$S$_2$ ($M$ = Mo, W) using first-principle density functional theory simulations. We show that LaO$X$ monolayers interacts weakly with $M$S$_2$ via van der Waals forces with negligible hybridization and interfacial charge transfer, thus conveniently preserving the electronic properties of 2D TMDCs upon contact formation. The conduction and valance band offsets of the interfaces exhibit a sizable value ranging from 0.7 to 1.4 eV, suggesting the capability of LaO$X$ as a gate dielectric materials. Based on Murphy-Good electron emission model, we demonstrate that LaOCl/MoS$_2$ is a versatile dielectric/semiconductor combinations that are compatible to both NMOS and PMOS applications with leakage current lower than $10^{-7}$ Acm$^{-2}$, while LaO$X$/WS$_2$ is generally compatible with PMOS application. The presence of an interfacial tunneling potential barrier at the van der Waals gap further provide an additional mechanism to suppress the leakage current. Our findings reveal the role LaO$X$ as an excellent dielectric companion to 2D TMDC and shall provide useful insights for leveraging the dielectric strength of LaO$X$ in the design of high-performance 2D nanodevices.

cond-mat.mtrl-sci↗

arXiv2022

Liquid Metal Printed Ultrathin Oxides for Monolayer WS2 Top-Gate Transistors

Two-dimensional (2D) semiconductors are promising channel materials for continued downscaling of complementary metal-oxide-semiconductor (CMOS) logic circuits. However, their full potential continues to be limited by a lack of scalable high-k dielectrics that can achieve atomically smooth interfaces, small equivalent oxide thicknesses (EOT), excellent gate control, and low leakage currents. Here, we report liquid metal printed ultrathin and scalable Ga2O3 dielectric for 2D electronics and electro-optical devices. We directly visualize the atomically smooth Ga2O3/WS2 interfaces enabled by the conformal nature of liquid metal printing. We demonstrate atomic layer deposition compatibility with high-k Ga2O3/HfO2 top-gate dielectric stacks on chemical vapour deposition grown monolayer WS2, achieving EOTs of ~1 nm and subthreshold swings down to 84.9 mV/dec. Gate leakage currents are well within requirements for ultra-scaled low-power logic circuits. Our results show that liquid metal printed oxides can bridge a crucial gap in scalable dielectric integration of 2D materials for next-generation nano-electronics.

cond-mat.mtrl-sci↗

arXiv2022

Terahertz Polarization Conversion from Optical Dichroism in a Topological Dirac Semimetal

Topological Dirac semimetals (TDSM), such as Cd$_3$As$_2$ and Na$_3$Bi, exhibits strong optical dichroism with contrasting dielectric permittivity along different crystal axes. However, such optical dichroism is often overlooked in the study of TDSM-based optoelectronic devices, and whether such optical dichroism can lead to unique functionalities not found under the isotropic approximation remain an open question thus far. Here we show that the optical dischroism in TDSM lead to starkly different terahertz (THz) responses and device performance as compared to the isotropic case. Using finite-difference time-domain simulations of a Cd$_3$As$_2$-based metasurface, we demonstrate that such optical dichroism can lead to an unexpected THz wave polarization conversion even if the metasurface structure remains C$_4$ four-fold rotationally symmetric, a practically useful feature not achievable under the isotropic model of TDSM. Our findings concretely reveal the contrasting spectral response between isotropic and anisotropic media, and shed important light on the capability of anisotropic TDSM in THz applications, leading not just to the more accurate device modelling, but also a new route in realizing THz waves polarization conversion without the need of complex device morphology commonly employed in conventional polarization converters.

physics.optics↗

arXiv2022

Cataloguing MoSi$_2$N$_4$ and WSi$_2$N$_4$ van der Waals Heterostructures: An Exceptional Material Platform for Excitonic Solar Cell Applications

Two-dimensional (2D) materials van der Waals heterostructures (vdWHs) provides a revolutionary route towards high-performance solar energy conversion devices beyond the conventional silicon-based pn junction solar cells. Despite tremendous research progress accomplished in recent years, the searches of vdWHs with exceptional excitonic solar cell conversion efficiency and optical properties remain an open theoretical and experimental quest. Here we show that the vdWH family composed of MoSi$_2$N$_4$ and WSi$_2$N$_4$ monolayers provides a compelling material platform for developing high-performance ultrathin excitonic solar cells and photonics devices. Using first-principle calculations, we construct and classify 51 types of MoSi$_2$N$_4$ and WSi$_2$N$_4$-based [(Mo,W)Si$_2$N$_4$] vdWHs composed of various metallic, semimetallic, semiconducting, insulating and topological 2D materials. Intriguingly, MoSi$_2$N$_4$/(InSe, WSe$_2$) are identified as Type-II vdWHs with exceptional excitonic solar cell power conversion efficiency reaching well over 20%, which are competitive to state-of-art silicon solar cells. The (Mo,W)Si$_2$N$_4$ vdWH family exhibits strong optical absorption in both the visible and ultraviolet regimes. Exceedingly large peak ultraviolet absorptions over 40%, approaching the maximum absorption limit of a free-standing 2D material, can be achieved in (Mo,W)Si$_2$N$_4$/$α_2$-(Mo,W)Ge$_2$P$_4$ vdWHs. Our findings unravel the enormous potential of (Mo,W)Si$_2$N$_4$ vdWHs in designing ultimately compact excitonic solar cell device technology.

cond-mat.mtrl-sci↗

arXiv2022

Multiferroic van der Waals heterostructure FeCl$_2$/Sc$_2$CO$_2$: Nonvolatile electrically switchable electronic and spintronic properties

Multiferroic van der Waals (vdW) heterostrucutres offers an exciting route towards novel nanoelectronics and spintronics device technology. Here we investigate the electronic and transport properties of multiferroic vdW heterostructure composed of ferromagnetic FeCl$_2$ monolayer and ferroelectric Sc$_2$CO$_2$ monolayer using first-principles density functional theory and quantum transport simulations. We show that FeCl$_2$/Sc$_2$CO$_2$ heterostructure can be reversibly switched from semiconducting to half-metallic behavior by electrically modulating the ferroelectric polarization states of Sc$_2$CO$_2$. Intriguingly, the half-metallic phase exhibits a Type-III broken gap band alignment, which can be beneficial for tunnelling field-effect transistor application. We perform a quantum transport simulation, based on a \emph{proof-of-concept} two-terminal nanodevice, to demonstrate all-electric-controlled valving effects uniquely enabled by the nonvolatile ferroelectric switching of the heterostructure. These findings unravels the potential of FeCl$_2$/Sc$_2$CO$_2$ vdW heterostructures as a building block for designing a next generation of ultimately compact information processing, data storage and spintronics devices.

cond-mat.mtrl-sci↗

arXiv2022

Modeling of electric double layer at solid-liquid interface with spatial complexity

Electrical double layer (EDL) is formed when an electrode is in contact with an electrolyte solution, and is widely used in biophysics, electrochemistry, polymer solution and energy storage. Poisson-Boltzmann (PB) coupled equations provides the foundational framework for modeling electrical potential and charge distribution at EDL. In this work, based on fractional calculus, we reformulate the PB equations (with and without steric effects) by introducing a phenomenal parameter $D$ (with a value between 0 and 1) to account for the spatial complexity due to impurities in EDL. The electrical potential and ion charge distribution for different $D$ are investigated. At $D$ = 1, the model recover the classical findings of ideal EDL. The electrical potential decays slowly at $D <$1, thus suggesting a wider region of saturated layer under fixed surface potential in the presence of spatial complexity. The fractional-space generalized model developed here provides a useful tool to account for spatial complexity effects which are not captured in the classic full-dimensional models.

cond-mat.mes-hall↗

arXiv2022

SUTD-PRCM Dataset and Neural Architecture Search Approach for Complex Metasurface Design

Metasurfaces have received a lot of attentions recently due to their versatile capability in manipulating electromagnetic wave. Advanced designs to satisfy multiple objectives with non-linear constraints have motivated researchers in using machine learning (ML) techniques like deep learning (DL) for accelerated design of metasurfaces. For metasurfaces, it is difficult to make quantitative comparisons between different ML models without having a common and yet complex dataset used in many disciplines like image classification. Many studies were directed to a relatively constrained datasets that are limited to specified patterns or shapes in metasurfaces. In this paper, we present our SUTD polarized reflection of complex metasurfaces (SUTD-PRCM) dataset, which contains approximately 260,000 samples of complex metasurfaces created from electromagnetic simulation, and it has been used to benchmark our DL models. The metasurface patterns are divided into different classes to facilitate different degree of complexity, which involves identifying and exploiting the relationship between the patterns and the electromagnetic responses that can be compared in using different DL models. With the release of this SUTD-PRCM dataset, we hope that it will be useful for benchmarking existing or future DL models developed in the ML community. We also propose a classification problem that is less encountered and apply neural architecture search to have a preliminary understanding of potential modification to the neural architecture that will improve the prediction by DL models. Our finding shows that convolution stacking is not the dominant element of the neural architecture anymore, which implies that low-level features are preferred over the traditional deep hierarchical high-level features thus explains why deep convolutional neural network based models are not performing well in our dataset.

cs.LG↗