arXiv subjects

Yuanxi Wang

Publications and source records attributed to Yuanxi Wang.

31 records · Page 2Linked to original sources

arXiv2022

Crossover of Ising- to Rashba-Type Superconductivity in Epitaxial Bi2Se3/Monolayer NbSe2 Heterostructures

A topological insulator (TI) interfaced with an s-wave superconductor has been predicted to host an unusual form of superconductivity known as topological superconductivity (TSC). Molecular beam epitaxy (MBE) has been the primary approach in the scalable synthesis of the TI/superconductor heterostructures. Although the growth of epitaxial TI films on s-wave superconductors has been achieved, it remains an outstanding challenge for synthesizing atomically thin TI/superconductor heterostructures, which are critical for engineering the TSC phase. Here, we used MBE to grow Bi2Se3 films with the controlled thickness on monolayer NbSe2 and performed in-situ angle-resolved photoemission spectroscopy and ex-situ magneto-transport measurements on these Bi2Se3/monolayer NbSe2 heterostructures. We found that the emergence of Rashba-type bulk quantum well bands and spin-nondegenerate surface states coincides with a marked suppression of the in-plane upper critical magnetic field of the superconductivity in Bi2Se3/monolayer NbSe2 heterostructures. This is the signature of a crossover from Ising- to Rashba-type superconducting pairings, induced by altering Bi2Se3 film thickness. Our work opens a new route for exploring a robust TSC phase in TI/Ising superconductor heterostructures.

cond-mat.supr-con↗

arXiv2022

SnP$_2$S$_6$: A Promising Infrared Nonlinear Optical Crystal with Strong Non-Resonant Second Harmonic Generation and Phase-matchability

High-power infrared laser systems with broadband tunability are of great importance due to their wide range of applications in spectroscopy and free-space communications. These systems require nonlinear optical (NLO) crystals for wavelength up/down conversion using sum/difference frequency generation, respectively. NLO crystals need to satisfy many competing criteria, including large nonlinear optical susceptibility, large laser induced damage threshold (LIDT), wide transparency range and phase-matchability. Here, we report bulk single crystals of SnP_2S_6 with a large non-resonant SHG coefficient of d33= 53 pm/V at 1550nm and a large LIDT of 350 GW/cm^2 for femtosecond laser pulses. It also exhibits a broad transparency range from 0.54 μm to 8.5μm (bandgap of ~2.3 eV) and can be both Type I and Type II phase-matched. The complete linear and SHG tensors are measured as well as predicted by first principles calculations, and they are in excellent agreement. A proximate double-resonance condition in the electronic band structure for both the fundamental and the SHG light is shown to enhance the non-resonant SHG response. Therefore, SnP2S6 is an outstanding candidate for infrared laser applications.

physics.optics↗

arXiv2021

Chemical requirements for stabilizing type-II Weyl points in MnBi2-xSbxTe4

We show that type-II Weyl point formation in MnBi2-xSbxTe4 is more likely than in MnBi2Te4 when x reaches 0.5, as the alloy case does not suffer from the same degree of lattice parameter sensitivity as in MnBi2Te4. To further substantiate the stability of type-II Weyl points in MnBi2-xSbxTe4, we demonstrate that among the three conditions of establishing a type-II Weyl point, two are robustly satisfied by the zone-folded dispersion of Bi and Te pz orbitals and spin-orbit coupling already available in MnBi2Te4, and that the control over MnBi2-xSbxTe4 alloy composition provides a rational means to satisfy the third condition. The stability of type-II Weyl points in MnBi1.5Sb0.5Te4 is thus intimately associated with orbital interactions, providing a concrete foundation for future efforts in band engineering and the rational design of topological electronic structures.

cond-mat.mtrl-sci↗

arXiv2020

Atlas of 2D metals epitaxial to SiC: filling-controlled gapping conditions and alloying rules

The realization of air-stable 2D metals epitaxial to SiC and capped by graphene creates a potentially immense chemical space of 2D metals and alloys that could expand the variety of solid-state excitations unique to 2D metals beyond what is known for graphene and niobium/tantalum chalcogenides. We perform a high-throughput computational survey from first-principles predicting the structures and stabilities of all metals in the periodic table when they intercalate graphene/SiC. Our results not only agrees with all experimentally known metal/SiC structures explored so far, but also reveals conspicuous trends related to metal cohesive energies and metal-silicon bonding. For special groups of metals, a small bandgap opens, relying on appropriate electron filling and substrate-induced symmetry breaking. From this gapping stabilization, we derive alloying rules unique to 2D metals.

cond-mat.mtrl-sci↗

arXiv2020

On the Convexity of Independent Set Games

Independent set games are cooperative games defined on graphs, where players are edges and the value of a coalition is the maximum cardinality of independent sets in the subgraph defined by the coalition. In this paper, we investigate the convexity of independent set games, as convex games possess many nice properties both economically and computationally. For independent set games introduced by Deng et al. (Math. Oper. Res., 24:751-766, 1999), we provide a necessary and sufficient characterization for the convexity, i.e., every non-pendant edge is incident to a pendant edge in the underlying graph. Our characterization immediately yields a polynomial time algorithm for recognizing convex instances of independent set games. Besides, we introduce a new class of independent set games and provide an efficient characterization for the convexity.

cs.DM↗

arXiv2020

Unexpected Near-Infrared to Visible Non-linear Optical Properties from Two-Dimensional Polar Metals

Near-infrared-to-visible second harmonic generation from air-stable two-dimensional polar gallium and indium metals is described. The photonic properties of 2D metals - including the largest second-order susceptibilities reported for metals (approaching 10nm$^2$/V) - are determined by the atomic-level structure and bonding of two-to-three-atom-thick crystalline films. The bond character evolved from covalent to metallic over a few atomic layers, changing the out-of-plane metal-metal bond distances by approximately ten percent (0.2 $\unicode{x212B}$), resulting in symmetry breaking and an axial electrostatic dipole that mediated the large nonlinear response. Two different orientations of the crystalline metal atoms, corresponding to lateral displacements < 2 $\unicode{x212B}$, persisted in separate micron-scale terraces to generate distinct harmonic polarizations. This strong atomic-level structure-property interplay suggests metal photonic properties can be controlled with atomic precision.

cond-mat.mtrl-sci↗

arXiv2020

Illuminating Invisible Grain Boundaries in Coalesced Single-Orientation WS2 Monolayer Films

Engineering atomic-scale defects is crucial for realizing wafer-scale, single-crystalline transition metal dichalcogenide monolayers for electronic devices. However, connecting atomic-scale defects to larger morphologies poses a significant challenge. Using electron microscopy and atomistic simulations, we provide insights into WS2 crystal growth mechanisms, providing a direct link between synthetic conditions and the microstructure. Dark-field TEM imaging of coalesced monolayer WS2 films illuminates defect arrays that atomic-resolution STEM imaging identifies as translational grain boundaries. Imaging reveals the films to have nearly a single orientation with imperfectly stitched domains. Through atomic-resolution imaging and ReaxFF reactive force field-based molecular dynamics simulations, we observe two types of translational mismatch and discuss their atomic structures and origin. Our results indicate that the mismatch results from relatively fast growth rates. Through statistical analysis of >1300 facets, we demonstrate that the macrostructural features are constructed from nanometer-scale building blocks, describing the system across sub-Ångstrom to multi-micrometer length scales.

cond-mat.mtrl-sci↗

arXiv2020

Monolayer Vanadium-doped Tungsten Disulfide: A Room-Temperature Dilute Magnetic Semiconductor

Dilute magnetic semiconductors, achieved through substitutional doping of spin-polarized transition metals into semiconducting systems, enable experimental modulation of spin dynamics in ways that hold great promise for novel magneto-electric or magneto-optical devices, especially for two-dimensional systems such as transition metal dichalcogenides that accentuate interactions and activate valley degrees of freedom. Practical applications of 2D magnetism will likely require room-temperature operation, air stability, and (for magnetic semiconductors) the ability to achieve optimal doping levels without dopant aggregation. Here we describe room-temperature ferromagnetic order obtained in semiconducting vanadium-doped tungsten disulfide monolayers produced by a reliable single-step film sulfidation method across an exceptionally wide range of vanadium concentrations, up to 12 at% with minimal dopant aggregation. These monolayers develop p-type transport as a function of vanadium incorporation and rapidly reach ambipolarity. Ferromagnetism peaks at an intermediate vanadium concentration of a few atomic percent and decreases for higher concentrations, which is consistent with quenching due to orbital hybridization at closer vanadium-vanadium spacings, as supported by transmission electron microscopy, magnetometry and first-principles calculations. Room-temperature two-dimensional dilute magnetic semiconductors provide a new component to expand the functional scope of van der Waals heterostructures and bring semiconducting magnetic 2D heterostructures them into the realm of practical application.

cond-mat.mtrl-sci↗

arXiv2019

An Air-Stable and Atomically Thin Graphene/Gallium Superconducting Heterostructure

Two-dimensional layered and atomically thin elemental superconductors may be key ingredients in next-generation quantum technologies, if they can be stabilized and integrated into heterostructured devices under ambient conditions. However, atomically thin elemental superconductors are largely unexplored outside ultra-high vacuum due to rapid oxidation, and even 2D layered superconductors require complex encapsulation strategies to maintain material quality. Here we demonstrate environmentally stable, single-crystal, few-atom-thick superconducting gallium, 2D-Ga, produced by confinement heteroepitaxy (CHet) at the interface of epitaxial graphene (EG) and silicon carbide (SiC). 2D-Ga becomes superconducting at 4 K; this elevation over bulk alpha-Ga (Tc~1 K) is primarily attributed to an increased density of states at the Fermi level as the incipient Ga-Ga dimerization seen in alpha-Ga is suppressed by epitaxy to SiC. We also demonstrate the importance of controlling SiC surface morphology (i.e. step height) and defect-engineering in graphene layers prior to intercalation to achieve large-area uniform 2D-Ga layers with isotropic transport properties. This work demonstrates that unique 2D forms of 3D materials can be stabilized at the EG/SiC interface, which represents a scalable route towards air-stable crystalline 2D superconductors as a potential foundation for next-generation quantum technologies.

cond-mat.supr-con↗

arXiv2019

Confinement Heteroepitaxy: Realizing Atomically Thin, Half-van der Waals Materials

Three-dimensional epitaxial heterostructures are based on covalently-bonded interfaces, whereas those from 2-dimensional (2D) materials exhibit van der Waals interactions. Under the right conditions, however, material structures with mixed interfacial van der Waals and covalent bonding may be realized. Atomically thin layers formed at the epitaxial graphene (EG)/silicon carbide (SiC) interface indicate that EG/SiC interfaces provide this unique environment and enable synthesis of a rich palette of 2D materials not accessible with traditional techniques. Here, we demonstrate a method termed confinement heteroepitaxy (CHet), to realize air-stable, structurally unique, crystalline 2D-Ga, In, and Sn at the EG/SiC interface. The first intercalant layer is covalently-bonded to the SiC, and is accompanied by a vertical bonding gradient that ends with van der Waals interactions. Such structures break out of plane centrosymmetry, thereby introducing atomically thin, non-centrosymmetric 2D allotropes of 3D materials as a foundation for tunable superconductivity, topological states, and plasmonic properties.

cond-mat.mtrl-sci↗

arXiv2019

Full orientation control of epitaxial MoS2 on hBN assisted by substrate defects

Inversion asymmetry in two-dimensional materials grants them fascinating properties such as spin-coupled valley degrees of freedom and piezoelectricity, but at the cost of inversion domain boundaries if the epitaxy of the grown 2D layer -- on a polar substrate -- cannot adequately distinguish what are often near-degenerate 0° and 180° orientations. We employ first-principles calculations to identify a method to lift this near-degeneracy: the energetic distinction between eclipsed and staggered configurations during nucleation at a point defect in the substrate. For monolayer MoS2 grown on hexagonal boron nitride, the predicted defect complex can be more stable than common MoS2 point defects because it is both a donor-acceptor pair and a Frenkel pair shared between adjacent layers of a 2D heterostack. Orientation control is verified in experiments that achieve ~90% consistency in the orientation of as-grown triangular MoS2 flakes on hBN, as confirmed by aberration-corrected scanning/transmission electron microscopy. This defect-enhanced orientational epitaxy could provide a general mechanism to break the near-degeneracy of 0/180° orientations of polar 2D materials on polar substrates, overcoming a long-standing impediment to scalable synthesis of single-crystal 2D semiconductors.

cond-mat.mes-hall↗

arXiv2019

Nonlinear dark-field imaging of 1D defects in monolayer dichalcogenides

Extended defects with one dimensionality smaller than that of the host, such as 2D grain boundaries in 3D materials or 1D grain boundaries in 2D materials, can be particularly damaging since they directly impede the transport of charge, spin or heat, and can introduce a metallic character into otherwise semiconducting systems. Unfortunately, a technique to rapidly and non-destructively image 1D defects in 2D materials is lacking. Scanning transmission electron microscopy (STEM), Raman, photoluminescence and nonlinear optical spectroscopies, are all extremely valuable, but current implementations suffer from low throughput and a destructive nature (STEM) or limitations in their unambiguous sensitivity at the nanoscale. Here we demonstrate that dark-field second harmonic generation (SHG) microscopy can rapidly, efficiently, and non-destructively probe grain boundaries and edges in monolayer dichalcogenides (i.e. MoSe2, MoS2 and WS2). Dark-field SHG efficiently separates the spatial components of the emitted light and exploits interference effects from crystal domains of different orientations to localize grain boundaries and edges as very bright 1D patterns through a Cerenkov-type SHG emission. The frequency dependence of this emission in MoSe2 monolayers is explained in terms of plasmon-enhanced SHG related to the defects metallic character. This new technique for nanometer-scale imaging of the grain structure, domain orientation and localized 1D plasmons in 2D different semiconductors, thus enables more rapid progress towards both applications and fundamental materials discoveries.

cond-mat.mes-hall↗

arXiv2018

Strong exciton regulation of Raman scattering in monolayer dichalcogenides

The weakly screened electron-hole interactions in an atomically thin semiconductor not only downshift its excitation spectrum from a quasiparticle one, but also redistribute excitation energies and wavefunction characters with profound effects on diverse modes of material response, including the exciton-phonon scattering processes accessible to resonant Raman measurements. Here we develop a first-principles framework to calculate frequency-dependent resonant Raman intensities that includes excitonic effects and goes beyond the Placzek approximation. We show how excitonic effects in MoS2 strongly regulate Raman scattering amplitudes and thereby explain the puzzling near-absence of resonant Raman response around the A and B excitons (which produce very strong signals in optical absorption), and also the pronounced strength of the resonant Raman response from the C exciton. Furthermore, this efficient perturbative approach reduces the number of GW- BSE calculations from two per Raman mode (in finite displacement) to one for all modes and affords natural extension to higher-order resonant Raman processes.

cond-mat.mes-hall↗