arXiv subjects

Bing Huang

Publications and source records attributed to Bing Huang.

At least 37 records · Page 2Linked to original sources

arXiv2023

A Survey on Conflict Detection in IoT-based Smart Homes

As the adoption of IoT-based smart homes continues to grow, the importance of addressing potential conflicts becomes increasingly vital for ensuring seamless functionality and user satisfaction. In this survey, we introduce a novel conflict taxonomy, complete with formal definitions of each conflict type that may arise within the smart home environment. We design an advanced conflict model to effectively categorize these conflicts, setting the stage for our in-depth review of recent research in the field. By employing our proposed model, we systematically classify conflicts and present a comprehensive overview of cutting-edge conflict detection approaches. This extensive analysis allows us to highlight similarities, clarify significant differences, and uncover prevailing trends in conflict detection techniques. In conclusion, we shed light on open issues and suggest promising avenues for future research to foster accelerated development and deployment of IoT-based smart homes, ultimately enhancing their overall performance and user experience.

cs.HC↗

arXiv2023

Carbon cluster emitters in silicon carbide

Defect qubits in 4H-SiC are outstanding candidates for numerous applications in the rapidly emerging field of quantum technology. Carbon clusters can act as emission sources that may appear after thermal oxidation of 4H-SiC or during irradiation which kicks out carbon atoms from their sites. These fluorescent carbon clusters could interfere with the already established vacancy-related qubits that generated with irradiation techniques. In this study, we systematically investigate the electronic structure, formation energy, dissociation energy, vibrational properties, and the full fluorescence spectrum of carbon clusters involving up to four carbon atoms in 4H-SiC by means of density functional theory calculations. All the possible local configurations for these carbon clusters are carefully evaluated. We find the electronic and vibronic properties of the carbon clusters depend strongly on the local configuration of the 4H-SiC lattice. By comparing the calculated and previously observed fluorescence spectra in 4H-SiC, we identify several carbon clusters as stable visible emitters in 4H-SiC. The paired carbon interstitial defects are identified as the source of the 463-nm triplet and the 456.6-nm emitters. The 471.8-nm emitter in 4H-SiC is associated with tri-carbon antisite clusters. Our findings provide plausible explanation for the origin of visible emission lines in 4H-SiC and propose the possible configurations of carbon clusters which are helpful for the quantum information processing application through qubits in 4H-SiC.

quant-ph↗

arXiv2023

Reply to "Comment on newly found Charge Density Waves in infinite layer Nickelates''

Charge density waves (CDW) have been reported in NdNiO$_2$ and LaNiO$_2$ thin films grown on SrTiO$_3$ substrates using Ni-$L_3$ resonant x-ray scattering in Refs. [1-3]. In their comment [arXiv:2306.15086] on these reports, Pelliciari et al. found no evidence for a CDW in a NdNiO$_2$ film by performing fixed-momentum energy-dependent measurements. Instead, they observed a nearby non-resonant scattering peak, attributed to the (101) substrate reflection, made accessible at Ni-$L_3$ due to third harmonic light contamination. Here we present fixed-momentum energy-dependent resonant inelastic x-ray scattering measurements across Ni-$L_3$ on NdNiO$_2$, used in the preceding study [1]. We see intrinsic Ni-$L_3$ energy profiles at all measured \textbf{Q} values, including a strong resonance effect at $\mathbf{Q}_\mathrm{CDW} = (-1/3, 0, 0.316)$ reciprocal lattice units. Attempts to measure the (101) substrate peak using third harmonic light at Ni-$L_3$ at I21, Diamond were unfruitful. Our results clearly demonstrate the electronic origin of the scattering peak published in Ref. [1] and lack of a detectable structural component in the peak.

cond-mat.str-el↗

arXiv2023

Giant Bulk Electro-photovoltaic Effect in Hetero-nodal-line Systems

Realization of giant and continuously tunable second-order photocurrent is desired for many nonlinear optical (NLO) and optoelectronic applications, which remains to be a great challenge. Here, based on a simple two-band model, we propose a concept of bulk electro-photovoltaic effect, that is, an out-of-plane external electric-field ($E_{ext}$) can continuously tune in-plane shift current along with its sign flip in a hetero-nodal-line (HNL) system. While strong linear optical transition around the nodal-loop may potentially generate giant shift current, an $E_{ext}$ can effectively control the radius of nodal-loop, which can continuously modulate the shift-vector components inside and outside nodal-loop holding opposite signs. This concept has been demonstrated in the HNL HSnN/MoS$_2$ system using first-principles calculations. The HSnN/MoS$_2$ hetero-bilayer not only can produce giant shift current with 1~2 magnitude order larger than other reported systems, but also can realize a giant bulk electro-photovoltaic effect. Our finding opens new routes to create and manipulate giant NLO responses in 2D materials.

cond-mat.mtrl-sci↗

arXiv2023

Towards self-driving laboratories: The central role of density functional theory in the AI age

Density functional theory (DFT) plays a pivotal role for the chemical and materials science due to its relatively high predictive power, applicability, versatility and computational efficiency. We review recent progress in machine learning model developments which has relied heavily on density functional theory for synthetic data generation and for the design of model architectures. The general relevance of these developments is placed in some broader context for the chemical and materials sciences. Resulting in DFT based machine learning models with high efficiency, accuracy, scalability, and transferability (EAST), recent progress indicates probable ways for the routine use of successful experimental planning software within self-driving laboratories.

physics.chem-ph↗

arXiv2023

Electronic Correlation-driven Exotic Quantum Phase Transitions in Infinite-layer Manganese Oxide

Despite the intensive interest in copper- and nickel-based superconductivity in infinite-layer structures, the physical properties of many other infinite-layer transition-metal oxides remain largely unknown. Here we unveil, by the first-principles calculations, the electronic correlation-driven quantum phase transitions in infinite-layer SrMnO2, where spin and charge orders are strongly interwoven. At weak electronic correlation region, SrMnO2 is a ferromagnetic metal with anisotropic spin transportation, as a promising spin valve under room-temperature. At middle electronic correlation region, a structural transition accompanied by charge/bond disproportion occurs as a consequence of Fermi surface nesting, resulting in a ferromagnetic insulator with reduced Curie temperature. At strong electronic correlation region, another structural transition occurs that drives the system into degenerately antiferromagnetic insulators with tunable magnetic order by piezoelectricity, a new type of multiferroics. Therefore, infinite-layer SrMnO2 is possibly a unique system on the quantum critical point, where electronic correlation can induce noticeable Fermi surface evolutions and small perturbations can realize remarkable quantum phase transitions.

cond-mat.mtrl-sci↗

arXiv2023

A Computational Efficient Pumped Storage Hydro Optimization in the Look-ahead Unit Commitment and Real-time Market Dispatch Under Uncertainty

Pumped storage hydro units (PSHU) are great sources of flexibility in power systems. This is especially valuable in modern systems with increasing shares of intermittent renewable resources. However, the flexibility from PSHUs, particularly in the real-time market, has not been thoroughly studied. The storage optimization in a real-time market hasn't been well addressed. To enhance the use of PSH resources and leverage their flexibility, it is important to incorporate the uncertainties, properly address the risks and avoid increasing too much computational burdens in the real-time market operation. To provide a practical solution to the daily operation of a PSHU in a single day look-ahead commitment (LAC) and real-time market, this paper proposes two pumped storage hydro (PSH) models that only use probabilistic price forecast to incorporate uncertainties and manage risks in the LAC and real-time market operation. The price forecast scenarios are formulated only on PSHUs that minimizes the computational challenges to the Security Constrained Unit Commitment (SCUC) problem. Numerical studies in Mid-continent Independent System Operator (MISO) demonstrate that the proposed models improves market efficiency. Compared to traditional stochastic and robust unit commitment, the proposed methods only moderately increase the solving time from current practice of deterministic LAC. Probabilistic forecast for Real Time Locational Marginal Price (RT-LMP) on PSH locations is created and embedded into the proposed stochastic optimization model, an statistical robust approach is used to generate scenarios for reflecting the temporal inter-dependence of the LMP forecast uncertainties.

eess.SY↗

arXiv2023

Moiré Magnetic Exchange Interactions in Twisted Magnets

Besides moiré superlattice, twisting can also generate moiré magnetic exchange interactions (MMEIs) in van der Waals magnets. However, due to the extreme complexity and twist-angle-dependent sensitivity, all existing models fail to capture the MMEIs, preventing the understanding of MMEIs-induced new physics. Here, we develop a microscopic moiré spin Hamiltonian that enables the effective description of MMEIs via a sliding-mapping approach in twisted magnets, as demonstrated in twisted bilayer CrI3. Unexpectedly, we discover that the emergence of MMEIs can create an unprecedented magnetic skyrmion bubble (SkB) with non-conversed helicity, named as moiré-type SkB, representing a unique spin texture solely generated by MMEIs and ready to be detected under the current experimental conditions. Importantly, the size and population of SkBs can be finely controlled by twist angle, a key step for skyrmion-based quantum computing and information storage. Furthermore, we reveal that the MMEIs can be effectively manipulated by the substrate-induced interfacial Dzyaloshinskii-Moriya interaction, modulating the twist-angle-dependent magnetic phase diagram, which solves the outstanding disagreements between prior theories and experiments and verifies our theory.

cond-mat.mtrl-sci↗

arXiv2023

Unusual Nonlinear Optical Responses in Layered Ferroelectric Niobium Oxide Dihalides: Origin and Manipulation

Realization of large and highly tunable second-order nonlinear optical (NLO) responses, e.g., second-harmonic generation (SHG) and bulk photovoltaic effect (BPVE), is critical for developing modern optical and optoelectronic devices. Very recently, the two-dimensional van der Waals ferroelectric NbOX2 (X = Cl, Br or I) are discovered to exhibit unusually large and anisotropic SHG. However, the physical origin and possible tunability of NLO responses in NbOX2 remain to be unclear. In this article, we reveal that the large SHG in NbOCl2 is dominated by the synergy between large transition dipole moment and band-nesting-induced large intensity of electron-hole pairs. Remarkably, the NbOCl2 can exhibit dramatically different strain-dependent BPVE under different polarized light, originating from the interesting light-polarization-dependent orbital transition. Importantly, we successfully achieve a reversible ferroelectric-to-antiferroelectric phase transition via controlling ambient temperature or external pressure, accompanied by the greatly tunable NLO responses. Furthermore, we discover that the evolutions of SHG and BPVE in NbOX2 with variable X obey different rules. Our study provides a deep understanding on the novel NLO physics in NbOX2 and establishes great external-field tunability for device applications.

cond-mat.mtrl-sci↗

arXiv2023

Layer-number-dependent spin Hall effects in transition metal monocarbides $M_{2}\rm{C}$ ($M=\rm{V}, \rm{Nb}, \rm{Ta}$)

The recent discovery of strong spin Hall effects (SHE) in 2D layered topological semimetals has attracted intensive attention due to its exotic electronic properties and potential applications in spintronic devices. In this paper, we systematically study the topological properties and intrinsic SHE of layered transition metal carbides $M_{2}\rm{C}$ ($M=\rm{V}, \rm{Nb}, \rm{Ta}$). The results show that both bulk and monolayer $M_{2}\rm{C}$ have symmetry-protected nodal points (NPs) and lines (NLs) originating from the $d$ band crossing near the Fermi level ($E_F$). The inclusion of SOC breaks the degeneracy of NLs and NPs, contributing to large spin Hall conductivity (SHC) up to $\sim$1100 and $\sim$200 $(\hbar / e)(Ω\mathrm{cm})^{-1}$ for bulk and monolayer Ta$_{2}$C, respectively. Remarkably, we find that magnitude of SHC exhibits a significant enhancement by increasing the layer number. For eight-layer Ta$_{2}$C, the maximum value of SHC can reach up to $\sim$600 $(\hbar / e)(Ω\mathrm{cm})^{-1}$, comparable to many reported 3D topological materials. Analysis of spin Berry curvature reveals that the large SHC originates from layer-number-dependent nodal line structure near the $E_F$, in which the repeated crossover between valence and conduction bands creates large amounts of NPs along the $Γ\rm{-K}$ route. Our findings not only provide a new platform for experimental research of low-dimensional SHE, but also suggest an effective way of realizing giant SHE by controlling layer thickness.

cond-mat.mtrl-sci↗

arXiv2022

Antiferromagnetic fluctuations and a dominant $d_{xy}$-wave pairing symmetry in nickelate-based superconductors

Motivated by recent experimental studies on superconductivity found in nickelate-based materials, we study the temperature dependence of the spin correlation and the superconducting pairing interaction within an effective two-band Hubbard model by the quantum Monte Carlo method. Based on parameters extracted from first-principles calculations, our intensive numerical results reveal that the pairing with a $d_{xy}$-wave symmetry firmly dominates over other pairings at low temperature, which is mainly determined by the Ni 3$d$ orbital. It is also found that the effective pairing interaction is enhanced as the on-site interaction increases, demonstrating that the superconductivity is driven by strong electron-electron correlation. Even though the $(π,π)$ antiferromagnetic correlation could be enhanced by electronic interaction, there is no evidence for long-range antiferromagnetic order exhibited in nickelate-based superconductors. Moreover, our results offer possible evidence that the pure electron correlation may not account for the charge density wave state observed in nickelates.

cond-mat.supr-con↗

arXiv2022

Nonlocal optical conductivity of Fermi surface nesting materials

We investigate the nonlocal optical conductivity of Fermi surface nesting materials which support charge density waves or spin density waves. The nonlocal optical conductivity contains information of correlations in electron fluids which could not be accessed by standard optical probes. Half metal emerges from doping a charge density wave and similarly spin-valley half metal emerges from doping a spin density wave. Based on the parabolic band approximation, we find the Drude peak is shifted to higher frequency and splits into two peaks in the nonlocal optical conductivity. We attribute this to the two Fermi velocities in the half-metal or spin-valley half metal states.

cond-mat.str-el↗

arXiv2022

Towards DMC accuracy across chemical space with scalable $Δ$-QML

In the past decade, quantum diffusion Monte Carlo (DMC) has been demonstrated to successfully predict the energetics and properties of a wide range of molecules and solids by numerically solving the electronic many-body Schrödinger equation. We show that when coupled with quantum machine learning (QML) based surrogate methods the computational burden can be alleviated such that QMC shows clear potential to undergird the formation of high quality descriptions across chemical space. We discuss three crucial approximations necessary to accomplish this: The fixed node approximation, universal and accurate references for chemical bond dissociation energies, and scalable minimal amons set based QML (AQML) models. Numerical evidence presented includes converged DMC results for over one thousand small organic molecules with up to 5 heavy atoms used as amons, and 50 medium sized organic molecules with 9 heavy atoms to validate the AQML predictions. Numerical evidence collected for $Δ$-AQML models suggests that already modestly sized QMC training data sets of amons suffice to predict total energies with near chemical accuracy throughout chemical space.

physics.chem-ph↗

arXiv2022

Charge density waves in infinite-layer NdNiO$_2$ nickelates

In materials science, much effort has been devoted to reproduce superconductivity in chemical compositions analogous to cuprate superconductors since their discovery over thirty years ago. This approach was recently successful in realising superconductivity in infinite-layer nickelates. Although differing from cuprates in electronic and magnetic properties, strong Coulomb interactions suggest infinite-layer nickelates have a propensity to various symmetry-breaking orders that populate the cuprates. Here we report the observation of charge density waves (CDWs) in infinite-layer NdNiO$_2$ films using Ni-$L_3$ resonant x-ray scattering. Remarkably, CDWs form in Nd 5$d$ and Ni 3$d$ orbitals at the same commensurate wavevector $(0.333, 0)\;r.l.u.$, with non-negligible out-of-plane dependence, and an in-plane correlation length up to $\sim$ 60 Angstrom. Spectroscopic studies reveal a strong connection between CDWs and the Nd 5$d$ - Ni 3$d$ orbital hybridisation. Upon entering the superconducting state at 20\% Sr doping, the CDWs disappear. Our work demonstrates the existence of CDWs in infinite-layer nickelates with a multi-orbital character distinct from cuprates, which establishes their low-energy physics.

cond-mat.supr-con↗

arXiv2022

Light-induced Magnetic Phase Transition in van der Waals Antiferromagnets

Based on a simple tight-binding model, we propose a general theory of light-induced magnetic phase transition (MPT) in antiferromagnets based on the general conclusion that the bandgap of antiferromagnetic (AFM) phase is usually larger than that of ferromagnetic (FM) one in a given system. Light-induced electronic excitation prefers to stabilize the FM state over the AFM one, and once the critical photocarrier concentration (α_c) is reached, an MPT from AFM phase to FM phase takes place. This theory has been confirmed by performing first-principles calculations on a series of two-dimensional (2D) van der Waals (vdW) antiferromagnets and a linear relationship between α_c and the intrinsic material parameters is obtained. Importantly, our conclusion is still valid even considering the strong exciton effects during photoexcitation. Our general theory provides new ideas to realize reversible read-write operations for future memory devices.

cond-mat.mtrl-sci↗

arXiv2022

Generating Two-dimensional Ferromagnetic Charge Density Waves via External Fields

Two-dimensional (2D) ferromagnetic charge density wave (CDW), an exotic quantum state for exploring the intertwining effect between correlated charge and spin orders in 2D limit, has not been discovered in the experiments yet. Here, we propose a feasible strategy to realize 2D ferromagnetic CDWs under external fields, which is demonstrated in monolayer VSe$_2$ using first-principles calculations. Under external tensile strain, two novel ferromagnetic CDWs ($\sqrt{3}$$\times$$\sqrt{3}$ and 2$\times2\sqrt{3}$ CDWs) can be generated, accompanied by distinguishable lattice reconstructions of magnetic V atoms. Remarkably, because the driving forces for generating these two ferromagnetic CDWs are strongly spin-dependent, fundamentally different from that in conventional CDWs, the $\sqrt{3}$$\times$$\sqrt{3}$ and 2$\times2\sqrt{3}$ CDWs can exhibit two dramatically different half-metallic phases under a large strain range, along with either a flat band or a Dirac cone around Fermi level. Our proposed strategy and material demonstration may open a door to generate and manipulate correlation effect between collective charge and spin orders via external fields.

cond-mat.mtrl-sci↗

arXiv2022

Unusual Hole-doping-dependent Electronic Instability and Electron-Phonon Coupling in Infinite-layer Nickelates

The interplay between superconductivity and charge density waves (CDWs) under hole doping in cuprates is one of the central phenomena in condensed matter physics. Recently, CDWs are also observed in CaCuO$_2$-analogous nickelates RNiO$_2$ (R = La, Nd) but exhibit fundamentally different hole-doping-dependent behaviors compared to that in cuprates, raising a challenging question on its origin. In this article, we propose that electronic instability (EI) and moment-dependent electron-phonon coupling (MEPC), mainly contributed by Ni 3dx2-y2 and R 5dz2, respectively, may be the possible reasons for CDW formation in RNiO$_2$. Without hole doping, a strong Fermi surface nesting (FSN) induced by the unique feature of van Hove singularity (VHS) across Fermi level exists in RNiO$_2$ but not in CaCuO$_2$, and the unusual temperature-insensitive feature of EI and MEPC could result in rather high temperature CDWs in RNiO$_2$. Under hole doping, the reduced FSN of Ni 3dx2-y2 by the shift of VHS and decreased occupation of R 5dz2 largely weaken EI and MEPC in RNiO$_2$, respectively, suppressing the CDW formation. Our theory not only offers possible explanations to some puzzling experimental observations, but also establishes a unified understanding on the hole-doping-dependent EI and MEPC in nickelates and cuprates.

cond-mat.supr-con↗

arXiv2022

Type-II Dirac Nodal Lines in double-kagome-layered CsV$_8$Sb$_{12}$

Lorentz-violating type-II Dirac nodal line semimetals (DNLSs), hosting curves of band degeneracy formed by two dispersion branches with the same sign of slope, represent a novel states of matter. While being studied extensively in theory, convincing experimental evidences of type-II DNLSs remain elusive. Recently, Vanadium-based kagome materials have emerged as a fertile ground to study the interplay between lattice symmetry and band topology. In this work, we study the low-energy band structure of double-kagome-layered CsV$_8$Sb$_{12}$ and identify it as a scarce type-II DNLS protected by mirror symmetry. We have observed multiple DNLs consisting of type-II Dirac cones close to or almost at the Fermi level via angle-resolved photoemission spectroscopy (ARPES). First-principle analyses show that spin-orbit coupling only opens a small gap, resulting effectively gapless ARPES spectra, yet generating large spin Berry curvature. These type-II DNLs, together with the interaction between a low-energy van Hove singularity and quasi-1D band as we observed in the same material, suggest CsV$_8$Sb$_{12}$ as an ideal platform for exploring novel transport properties such as chiral anomaly, the Klein tunneling and fractional quantum Hall effect.

cond-mat.str-el↗