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Han Wang

Publications and source records attributed to Han Wang.

At least 541 records · Page 30Linked to original sources
arXiv2015

Molecular Dynamics in a Grand Ensemble: Bergmann-Lebowitz model and Adaptive Resolution Simulation

This article deals with the molecular dynamics simulation of open systems that can exchange energy and matter with a reservoir; the physics of the reservoir and its interactions with the system are described by the model introduced by Bergmann and Lebowitz.Despite its conceptual appeal, the model did not gain popularity in the field of molecular simulation and, as a consequence, did not play a role in the development of open system molecular simulation techniques, even though it can provide the conceptual legitimation of simulation techniques that mimic open systems. We shall demonstrate that the model can serve as a tool to devise both numerical procedures and conceptual definitions of physical quantities that cannot be defined in a straightforward way by systems with a fixed number of molecules. In particular, we discuss the utility of the Bergmann-Lebowitz (BL) model for the calculation of equilibrium time correlation functions within the Grand Canonical Adaptive Resolution method (GC-AdResS) and report numerical results for the case of liquid water.

physics.comp-ph↗
arXiv2015

Black Arsenic-Phosphorus: Layered Anisotropic Infrared Semiconductors with Highly Tunable Compositions and Properties

Two-dimensional (2D) layered materials with diverse properties have attracted significant interest in the past decade. The layered materials discovered so far have covered a wide, yet discontinuous electromagnetic spectral range from semimetallic graphene, insulating boron nitride, to semiconductors with bandgaps from middle infrared to visible light. Here, we introduce new layered semiconductors, black arsenic-phosphorus (b-AsP), with highly tunable chemical compositions and electronic and optical properties. Transport and infrared absorption studies demonstrate the semiconducting nature of b-AsP with tunable bandgaps, ranging from 0.3 to 0.15 eV. These bandgaps fall into long-wavelength infrared (LWIR) regime and cannot be readily reached by other layered materials. Moreover, polarization-resolved infrared absorption and Raman studies reveal in-plane anisotropic properties of b-AsP. This family of layered b-AsP materials extend the electromagnetic spectra covered by 2D layered materials to the LWIR regime, and may find unique applications for future all 2D layered material based devices.

cond-mat.mtrl-sci↗
arXiv2015

Interlayer Interactions in Anisotropic Atomically-thin Rhenium Diselenide

Recently, two-dimensional (2D) materials with strong in-plane anisotropic properties such as black phosphorus have demonstrated great potential for developing new devices that can take advantage of its reduced lattice symmetry with potential applications in electronics, optoelectronics and thermoelectrics. However, the selection of 2D material with strong in-plane anisotropy has so far been very limited and only sporadic studies have been devoted to transition metal dichalcogenides (TMDC) materials with reduced lattice symmetry, which is yet to convey the full picture of their optical and phonon properties, and the anisotropy in their interlayer interactions. Here, we study the anisotropic interlayer interactions in an important TMDC 2D material with reduced in-plane symmetry - atomically thin rhenium diselenide (ReSe2) - by investigating its ultralow frequency interlayer phonon vibration modes, the layer dependent optical bandgap, and the anisotropic photoluminescence (PL) spectra for the first time. The ultralow frequency interlayer Raman spectra combined with the first study of polarization-resolved high frequency Raman spectra in mono- and bi-layer ReSe2 allows deterministic identification of its layer number and crystal orientation. PL measurements show anisotropic optical emission intensity with bandgap increasing from 1.26 eV in the bulk to 1.32 eV in monolayer, consistent with the theoretical results based on first-principle calculations. The study of the layer-number dependence of the Raman modes and the PL spectra reveals the relatively weak van der Waals interaction and 2D quantum confinement in atomically-thin ReSe2.

cond-mat.mes-hall↗
arXiv2015

The Renaissance of Black Phosphorus

One hundred years after its first successful synthesis in the bulk form in 1914, black phosphorus (black P) was recently rediscovered from the perspective of a two-dimensional (2D) layered material, attracting tremendous interest from condensed matter physicists, chemists, semiconductor device engineers and material scientists. Similar to graphite and transition metal dichalcogenides (TMDs), black P has a layered structure but with a unique puckered single layer geometry. Because the direct electronic band gap of thin film black P can be varied from 0.3 to around 2 eV, depending on its film thickness, and because of its high carrier mobility and anisotropic in-plane properties, black P is promising for novel applications in nanoelectronics and nanophotonics different from graphene and TMDs. Black P as a nanomaterial has already attracted much attention from researchers within the past year. Here, we offer our opinions on this emerging material with the goal of motivating and inspiring fellow researchers in the 2D materials community and the broad readership of PNAS to discuss and contribute to this exciting new field. We also give our perspectives on future 2D and thin film black P research directions, aiming to assist researchers coming from a variety of disciplines who are desirous of working in this exciting research field.

cond-mat.mtrl-sci↗
arXiv2014

Adaptive Resolution Simulation in Equilibrium and Beyond

In this paper, we investigate the equilibrium statistical properties of both the force and potential interpolations of adaptive resolution simulation (AdResS) under the theoretical framework of grand-canonical like AdResS (GC-AdResS). The thermodynamic relations between the higher and lower resolutions are derived by considering the absence of fundamental conservation laws in mechanics for both branches of AdResS. In order to investigate the applicability of AdResS method in studying the properties beyond the equilibrium, we demonstrate the accuracy of AdResS in computing the dynamical properties in two numerical examples: The velocity auto-correlation of pure water and the conformational relaxation of alanine dipeptide dissolved in water. Theoretical and technical open questions of the AdResS method are discussed in the end of the paper.

physics.chem-ph↗
arXiv2014

Highly Anisotropic and Robust Excitons in Monolayer Black Phosphorus

Semi-metallic graphene and semiconducting monolayer transition metal dichalcogenides (TMDCs) are the two-dimensional (2D) materials most intensively studied in recent years. Recently, black phosphorus emerged as a promising new 2D material due to its widely tunable and direct bandgap, high carrier mobility and remarkable in-plane anisotropic electrical, optical and phonon properties. However, current progress is primarily limited to its thin-film form, and its unique properties at the truly 2D quantum confinement have yet to be demonstrated. Here, we reveal highly anisotropic and tightly bound excitons in monolayer black phosphorus using polarization-resolved photoluminescence measurements at room temperature. We show that regardless of the excitation laser polarization, the emitted light from the monolayer is linearly polarized along the light effective mass direction and centers around 1.3 eV, a clear signature of emission from highly anisotropic bright excitons. In addition, photoluminescence excitation spectroscopy suggests a quasiparticle bandgap of 2.2 eV, from which we estimate an exciton binding energy of around 0.9 eV, consistent with theoretical results based on first-principles. The experimental observation of highly anisotropic, bright excitons with exceedingly large binding energy not only opens avenues for the future explorations of many-electron effects in this unusual 2D material, but also suggests a promising future in optoelectronic devices such as on-chip infrared light sources.

cond-mat.mes-hall↗
arXiv2014

Two-Dimensional Material Nanophotonics

The emerging two-dimensional (2D) materials exhibit a wide range of electronic properties, ranging from insulating hexagonal boron nitride, semiconducting transition metal dichalcogenides such as molybdenum disulfide, to semi-metallic graphene. Here, we first review the optical properties and applications of a variety of 2D materials, followed by two different approaches to enhance their interactions with light: through their integration with external photonic structures and through their intrinsic polaritonic resonances. Finally, we cover a narrow bandgap layered material, black phosphorus, which serendipitously bridges the zero gap graphene and the relatively large-bandgap TMDCs. The plethora of 2D materials and their heterostructures, together with the approaches for enhancing light-matter interaction offers the promise of scientific discoveries and nanophotonics technologies across a wide range of electromagnetic spectrum.

cond-mat.mes-hall↗
arXiv2014

Black Phosphorus Radio-Frequency Transistors

Few-layer and thin film forms of layered black phosphorus (BP) have recently emerged as a promising material for applications in high performance nanoelectronics and infrared optoelectronics. Layered BP thin film offers a moderate bandgap of around 0.3 eV and high carrier mobility, leading to transistors with decent on-off ratio and high on-state current density. Here, we demonstrate the gigahertz frequency operation of black phosphorus field-effect transistors for the first time. The BP transistors demonstrated here show excellent current saturation with an on-off ratio exceeding 2000. We achieved a current density in excess of 270 mA/mm and DC transconductance above 180 mS/mm for hole conduction. Using standard high frequency characterization techniques, we measured a short-circuit current-gain cut-off frequency fT of 12 GHz and a maximum oscillation frequency fmax of 20 GHz in 300 nm channel length devices. BP devices may offer advantages over graphene transistors for high frequency electronics in terms of voltage and power gain due to the good current saturation properties arising from their finite bandgap, thus enabling the future ubiquitous transistor technology that can operate in the multi-GHz frequency range and beyond.

cond-mat.mes-hall↗
arXiv2014

Time-domain multiscale shape identification in electro-sensing

This paper presents premier and innovative time-domain multi-scale method for shape identification in electro-sensing using pulse-type signals. The method is based on transform-invariant shape descriptors computed from filtered polarization tensors at multi-scales. The proposed algorithm enjoys a remarkable noise robustness even with far-field measurements at very limited angle of view. It opens a door for pulsed imaging using echolocation and induction data.

math.NA↗
arXiv2014

Tunable optical properties of multilayers black phosphorus thin films

Black phosphorus thin films might offer attractive alternatives to narrow gap compound semiconductors for optoelectronics across mid- to near-infrared frequencies. In this work, we calculate the optical conductivity tensor of multilayer black phosphorus thin films using the Kubo formula within an effective low-energy Hamiltonian. The optical absorption spectra of multilayer black phosphorus are shown to vary sensitively with thickness, doping, and light polarization. In conjunction with experimental spectra obtained from infrared absorption spectroscopy, we also discuss the role of interband coupling and disorder on the observed anisotropic absorption spectra.

cond-mat.mtrl-sci↗
arXiv2014

Detection and classification from electromagnetic induction data

In this paper we introduce an efficient algorithm for identifying conductive objects using induction data derived from eddy currents. Our method consists of first extracting geometric features from the induction data and then matching them to precomputed data for known objects from a given dictionary. The matching step relies on fundamental properties of conductive polarization tensors and new invariants introduced in this paper. A new shape identification scheme is introduced and studied. We test it numerically in the presence of measurement noise. Stability and resolution capabilities of the proposed identification algorithm are quantified in numerical simulations.

math.AP↗
arXiv2014

Chemical potential of liquids and mixtures via Adaptive Resolution Simulation

We employ the adaptive resolution approach AdResS, in its recently developed Grand Canonical-like version (GC-AdResS) [Wang et al. Phys.Rev.X 3, 011018 (2013)], to calculate the excess chemical potential, $μ^{ex}$, of various liquids and mixtures. We compare our results with those obtained from full atomistic simulations using the technique of thermodynamic integration and show a satisfactory agreement. In GC-AdResS the procedure to calculate $μ^{ex}$ corresponds to the process of standard initial equilibration of the system; this implies that, independently of the specific aim of the study, $μ^{ex}$, for each molecular species, is automatically calculated every time a GC-AdResS simulation is performed.

cond-mat.stat-mech↗
arXiv2014

Plasmons and screening in monolayer and multilayer black phosphorus

Black phosphorus exhibits a high degree of band anisotropy. However, we found that its in-plane static screening remains relatively isotropic for momenta relevant to elastic long-range scattering processes. On the other hand, the collective electronic excitations in the system exhibit a strong anisotropy. Band non-parabolicity leads to a plasmon frequency which scales as $n^β$, where $n$ is the carrier concentration, and $β<\tfrac{1}{2}$. Screening and charge distribution in the out-of-plane direction are also studied using a non-linear Thomas-Fermi model.

cond-mat.mtrl-sci↗
arXiv2014

Microwave-driven Topological Resonant Excitations of Coupled Skyrmions

We study nonlinear dynamics of coupled Skyrmions and present a method for manipulating topological resonant excitations by a dual-frequency microwave field. Thiele's equation is extended by introducing a new effective mass associated with time derivative of topological density. Two coupled resonant modes endowed with the new effective mass are found in the coupled Skyrmions. Polygon-like resonant excitations are observed and modulated when the two modes are activated simultaneously by microwave field with commensurate frequency ratio. Quasiperiodic behavior of excitations are related to an incommensurate ratio. Numerical solutions based on the extended Thiele's equation for Skyrmion under a dual-frequency field agree well with the micromagnetic simulation results and clarify the importance of frequency value, frequency ratio of an external field and the effective mass to the polygon-like dynamics of Skyrmion. We also show the coupling between two Skyrmions can dominate their topological resonant excitations.

cond-mat.mtrl-sci↗
arXiv2014

Exploring the conformational dynamics of alanine dipeptide in solution subjected to an external electric field: A nonequilibrium molecular dynamics simulation

In this paper, we investigate the conformational dynamics of alanine dipeptide under an external electric field by nonequilibrium molecular dynamics simulation. We consider the case of a constant and of an oscillatory field. In this context we propose a procedure to implement the temperature control, which removes the irrelevant thermal effects of the field. For the constant field different time-scales are identified in the conformational, dipole moment, and orientational dynamics. Moreover, we prove that the solvent structure only marginally changes when the external field is switched on. In the case of oscillatory field, the conformational changes are shown to be as strong as in the previous case, and non-trivial nonequilibrium circular paths in the conformation space are revealed by calculating the integrated net probability fluxes.

physics.chem-ph↗
arXiv2014

Rediscovering Black Phosphorus: A Unique Anisotropic 2D Material for Optoelectronics and Electronics

Anisotropy refers to the property of a material exhibiting directionally dependent features. In this paper, we introduce black phosphorous (BP), the most stable allotrope of phosphorus in layered orthorhombic structure with a bandgap of 0.3 eV in bulk, as a unique 2D material in which electrons, phonons and their interactions with photons behave in a highly anisotropic manner within the plane of the layers. The unique anisotropic nature of BP thin films is revealed using angle-resolved Raman and infrared spectroscopies, together with angle-resolved transport study. For 15 nm thick BP, we measure Hall mobility of 1000 and 600 cm^2/Vs for holes along the light (x) and heavy (y) effective mass directions, respectively, at 120 K. These BP thin films also exhibit large and anisotropic in-plane optical conductivity from 2 to 5 micrometer wavelength. Field effect transistors using 4 to 30 layers of BP (2 to 15 nm) as channel material exhibit an on-off current ratio exceeding 10^5, a field-effect mobility of 205 cm^2/Vs, and good saturation properties all at room temperature, suggesting its promising future in high performance thin film electronics. By introducing narrow bandgap BP into the 2D material family, we fill the space between semi-metallic graphene and large bandgap TMDCs, where great potentials for infrared optoelectronics lie. Most importantly, the unique anisotropic nature of this intriguing material creates unprecedented possibilities for the realization of conceptually new optoelectronic and electronic devices in which angle-dependent physical properties are highly desirable.

cond-mat.mes-hall↗
arXiv2014

Electronic transport and device prospects of monolayer molybdenum disulphide grown by chemical vapour deposition

Layered transition metal dichalcogenides display a wide range of attractive physical and chemical properties and are potentially important for various device applications. Here we report the electronic transport and device properties of monolayer molybdenum disulphide (MoS2) grown by chemical vapour deposition (CVD). We show that these devices have the potential to suppress short channel effects and have high critical breakdown electric field. However, our study reveals that the electronic properties of these devices are at present, severely limited by the presence of a significant amount of band tail trapping states. Through capacitance and ac conductance measurements, we systematically quantify the density-of-states and response time of these states. Due to the large amount of trapped charges, the measured effective mobility also leads to a large underestimation of the true band mobility and the potential of the material. Continual engineering efforts on improving the sample quality are needed for its potential applications.

cond-mat.mes-hall↗