arXiv subjects

Bing Huang

Publications and source records attributed to Bing Huang.

At least 19 recordsLinked to original sources

arXiv2026

Dimensionality-Driven Charge Stabilization of Group-IV Color Centers in Diamond Ultrathin Films

Neutral group-IV vacancy (XV, X = Si, Ge, Sn, and Pb) centers in diamond are emerging solid-state spin-photon interfaces because of their favorable spin coherence and inversion symmetry-protected optical transitions. However, stabilizing their neutral charge state typically requires stringent Fermi-level engineering in high purity boron-doped diamond, which poses significant materials-growth challenges. Here, we demonstrate that dimensional confinement in diamane provides an alternative route to charge-state stabilization without intentional doping. Using first-principles calculations, we show that quantum confinement and surface termination cooperatively tune the host band gap and shift the occupied defect states upward from the valence-band edge, thereby enlarging the thermodynamic stability window of the neutral charge state and suppressing valence-band assisted excitation pathways. We further reveal that the thickness and surface termination of diamane enable systematic tuning of the electronic structure, zero-field splitting, and spin-orbit coupling of XV centers while largely preserving their optical transition energies. Among the structures considered, hydrogenated diamane offers the most favorable balance between charge-state stability and magneto-optical performance. More broadly, our findings establish dimensional confinement as a general strategy for engineering the charge, optical, and spin properties of solid-state quantum defects.

cond-mat.mtrl-sci↗

arXiv2026

Layer-Resolved Nonlinear Optics in Finite-Thickness Two-Dimensional Systems

Nonlinear optical (NLO) responses in two-dimensional quantum-confined systems are typically described within bulk-based frameworks as macroscopic spatial averages. In finite-thickness van der Waals multilayers directly relevant to nanoscale devices, this picture substantially breaks down. Here, we establish a general symmetry-based framework for classifying second-order NLO responses in multilayers. We reveal a layer-resolved organization into skin, weak-skin, and hidden effects governed by local symmetry and stacking order. First-principles calculations for both nonmagnetic and spin-polarized systems confirm our predictions, demonstrating that stacking alone suffices to dramatically reshape both the spatial pattern and magnitude of the NLO response, a phenomenon not explainable within standard bulk theory. Our results establish stacking geometry as an effective knob for engineering surface-selective NLO responses in layered materials.

cond-mat.mtrl-sci↗

arXiv2026

Spin-Spiral Enhancement of Ultrafast Light-Polarization-Robust Magnetization

Ultrafast light-driven magnetization, a frontier in quantum magneto-optics, has traditionally relied on circularly polarized lasers to provide external angular momentum. While increasing efforts have aimed to achieve light-polarization-robust (LPR) magnetization that is insensitive to the form of external light excitation, the underlying mechanism remains largely unclear. Here, we establish the symmetry-constrained rule for LPR magnetization in antiferromagnetic systems. Through real-time time-dependent density functional theory calculations, we observe the strong LPR magnetization in spin-spiral magnets and its suppression in collinear antiferromagnets, confirming our theory. Strikingly, laser excitation induces real-space demagnetization, rotation, and oscillation of atomic spins in spin-spiral monolayer NiI$_2$, whereas rotation is largely suppressed in conventional collinear antiferromagnets. Our work reveals a novel microscopic pathway for ultrafast magnetization that is independent of light polarization, paving the way for advanced femtosecond spin control.

cond-mat.mtrl-sci↗

arXiv2026

Interacting donor-acceptor pairs as the origin of coupled spin-optical signals in hexagonal boron nitride

Optically addressable spin defects in hexagonal boron nitride hold promise for room-temperature quantum technologies, but their microscopic identities remain largely unknown. Using first principles calculations, we show that coupled spin optical signals arise from interacting donor acceptor pairs, not the commonly believed isolated defects. Intra and inter pair separations control charge transfer, electronic structure, and spin coupling, thereby greatly modulating zero phonon lines, phonon sidebands, lifetimes, and the sign of optically detected magnetic resonance contrast. Importantly, we identify two distinct charge-state-dependent coupling regimes and extend this picture to correlated defect ensembles, explaining the wide diversity of experimental observations. Our results establish a microscopic framework for coupled defect behavior and provide design principles for spin-active quantum emitters in wide bandgap semiconductors.

cond-mat.mtrl-sci↗

arXiv2026

Two-dimensional Intrinsic Janus Structures: Design Principle and Anomalous Nonlinear Optics

Two-dimensional Janus structures have garnered rapidly growing attention across multidisciplinary fields. However, despite extensive theoretical and experimental efforts, a principle for designing intrinsic Janus materials remains elusive. Here, we propose a first-principles alloy theory based on cluster expansion, incorporating a strong repulsive interaction of a cation-mediated anion-pair cluster and refined short-range cluster-cluster competitions, to unravel the formation mechanism of intrinsic Janus structures with a distorted 1T phase among numerous competing phases. Our theory not only explains why intrinsic Janus structures are accidentally observed in RhSeCl and BiTeI which are composed of alloyed elements from different groups, but also accurately predicts a wide range of 1T-like intrinsic Janus materials that are ready for synthesis. Intriguingly, as demonstrated in the case of RhSeCl, we reveal that intrinsic Janus materials can exhibit anomalous second-harmonic generation (SHG) with a distinct quantum geometric effect, originating from strong lattice and chemical-potential mirror asymmetry. Furthermore, a novel skin effect unexpectedly emerges in finite-thickness RhSeCl, accompanied by a hidden SHG effect within the bulk region. Our theory paves the way for the ab initio design of intrinsic Janus materials, significantly accelerating progress in Janus science.

cond-mat.mtrl-sci↗

arXiv2025

Interplay of magnetic and thermodynamic responses in the kagome-triangular system

Inspired by the recent experimental progress in pyrochlore derivative RE$_3$Sb$_3$A$_2$O$_{14}$ (A = Mg, Zn), we investigate the Hubbard model on the kagome lattice with an additional hopping $t'/t$, which enables continuous interpolation between the kagome and triangular lattices by using determinant quantum Monte Carlo simulations. We find that increasing $t'/t$ suppresses the nearest-neighbor antiferromagnetic correlations. Concurrently, the next-nearest-neighbor antiferromagnetic correlations are enhanced and closely associated with the emergence of a pronounced low-temperature peak in the specific heat. Increasing on-site interaction $U$ enhances magnetic correlations and shifts the associated $t'/t$ crossover points to larger values. We also discuss the sign problem to clarify which parameter region of our numerical simulations is accessible and reliable. Our results uncover the competition between frustration and correlations and the interplay of magnetic and thermodynamic responses in the kagome lattice, providing insights into correlated states in frustrated materials.

cond-mat.str-el↗

arXiv2025

Optimizing the depth-dependent nitrogen-vacancy center quantum sensor in diamane

Negatively charged nitrogen-vacancy (NV) center in diamond is the representative solid state defect qubit for quantum information science, offering long coherence time at room temperature. To achieve high sensitivity and spatial resolution, shallow NV center near the surface are preferred. However, shallow NV center suffers from surface states and spin noise which reduce the photostability and coherence time. In this work, we systematically study the NV center in recently reported two-dimensional diamond, known as diamane--using first-principles calculations. We show that the quantum confinement in finite-layer diamane, with appropriate surface passivation, could significantly modify the band structure. In particular, we identify oxygen surface termination capable of hosting NV center in diamane while optimizing photostability compared to bulk diamond. Furthermore, layer-dependent NV center demonstrates tunable zero-phonon-line and suppressed phonon side band, while retaining long coherence time. Our findings highlight diamane as a promising platform for NV-based quantum information processing with improved optical properties and stability

cond-mat.mtrl-sci↗

arXiv2025

Giant spin Hall effects and topological surface states in ternary-layered MAX carbides Mn+1AlCn (M= Nb, Ta, n=1, 2, 3)

In this work, we report a systematic study of the electronic structures, band topology, and intrinsic spin Hall effect (SHE) of the layered MAX carbides Mn+1AlCn (M= Nb, Ta, n=1, 2, 3) and explore the correlation effects on the SHE. The results show that M3AlC2 and M4AlC3 (M= Nb, Ta) share similar Dirac-band-crossing features near the Fermi level (EF) and form nodal lines in the absence of spin-orbit coupling (SOC). When the SOC is included, the Dirac band crossings are fully gapped, resulting in nontrivial Z2 topological invariants (1;000) with a pair of surface states on the (001) plane. Remarkably, the multiple gapped Dirac points contribute to locally strong spin Berry curvatures, which lead to large spin Hall conductivities and a giant spin Hall angle up to ~ 60% for Ta3AlC2. Moreover, we also elucidate the impact of Hubbard U correction on SHC. Our findings indicate that Ta3AlC2 might represent an intriguing layered Z2 topological metal with superior charge-to-spin conversion efficiency.

cond-mat.mes-hall↗

arXiv2025

Breathing-Driven Metal-Insulator Transition in Correlated Kagome Systems

Inspired by the recent discovery of breathing kagome materials $\rm Nb_3Cl_8$ and $\rm Nb_3TeCl_7$, we have explored the influence of the breathing effect on the Hubbard model of the kagome lattice. Utilizing the determinant quantum Monte Carlo method, we first investigated the average sign problem in the breathing kagome lattice, which is significantly affected by both the breathing strength and the interaction strength. Secondly, we calculated the electronic kinetic energy, the direct current conductivity, and the electronic density of states at the Fermi level to determine the critical interaction strength for the metal-insulator transition. Our results indicate that the breathing effect, in conjunction with the interaction strength, drives the kagome system from a metal to an insulator. Finally, we evaluated the magnetic properties and constructed a phase diagram incorporating both transport and magnetic properties. The phase diagram reveals that as the interaction strength increases, the system transitions from a paramagnetic metal to a Mott insulator. Our research provides a theoretical guidance for utilizing the breathing effect to control the band gaps, conductivity, and magnetic properties of kagome materials with electronic interactions.

cond-mat.str-el↗

arXiv2025

Equilibrium Unit Based Localized Affine Formation Maneuver for Multi-agent Systems

Current affine formation maneuver of multi-agent systems (MASs) relys on the affine localizability determined by generic assumption for nominal configuration and global construction manner. This does not live up to practical constraints of robot swarms. In this paper, an equilibrium unit based structure is proposed to achieve affine localizability. In an equilibrium unit, existence of non-zero weights between nodes is guaranteed and their summation is proved to be non-zero. To remove the generic assumption, a notion of layerable directed graph is introduced, based on which a sufficient condition associated equilibrium unit is presented to establish affine localizability condition. Within this framework, distributed local construction manner is performed by a designed equilibrium unit construction (EUC) method. With the help of localized communication criterion (LCC) and localized sensing based affine formation maneuver control (LSAFMC) protocol, self-reconstruction capability is possessed by MASs when nodes are added to or removed from the swarms.

eess.SY↗

arXiv2025

Stark Shift from Quantum Defects in Hexagonal Boron Nitride

Color centers in hexagonal boron nitride have emerged as promising candidates for quantum information applications, owing to their efficient and bright single photon emission. Despite the challenges in directly characterizing these emitters, the interaction between external fields and defects, such as the Stark shift, offers valuable insights into their local geometric configurations. In this study, we focus on clarifying the possible origin of the distinct Stark shift characteristics observed experimentally, particularly in the emission range around 2 eV. We find that the local symmetry of the defects plays a crucial role in determining the nature of the Stark shift, which can be either linear or quadratic. Additionally, the local dielectric environment significantly influences the Stark shift response. Our calculations not only enhance the understanding of the micro-structure of these hitherto unknown emitters but also pave the way for their more effective utilization as single-photon sources and qubits in quantum technologies.

cond-mat.mtrl-sci↗

arXiv2024

Proactive Detection of Physical Inter-rule Vulnerabilities in IoT Services Using a Deep Learning Approach

Emerging Internet of Things (IoT) platforms provide sophisticated capabilities to automate IoT services by enabling occupants to create trigger-action rules. Multiple trigger-action rules can physically interact with each other via shared environment channels, such as temperature, humidity, and illumination. We refer to inter-rule interactions via shared environment channels as a physical inter-rule vulnerability. Such vulnerability can be exploited by attackers to launch attacks against IoT systems. We propose a new framework to proactively discover possible physical inter-rule interactions from user requirement specifications (i.e., descriptions) using a deep learning approach. Specifically, we utilize the Transformer model to generate trigger-action rules from their associated descriptions. We discover two types of physical inter-rule vulnerabilities and determine associated environment channels using natural language processing (NLP) tools. Given the extracted trigger-action rules and associated environment channels, an approach is proposed to identify hidden physical inter-rule vulnerabilities among them. Our experiment on 27983 IFTTT style rules shows that the Transformer can successfully extract trigger-action rules from descriptions with 95.22% accuracy. We also validate the effectiveness of our approach on 60 SmartThings official IoT apps and discover 99 possible physical inter-rule vulnerabilities.

cs.CR↗

arXiv2023

Understanding spin textures in PT-broken systems through universal symmetry-constrained rules

The current understanding of spin-polarization phenomena in crystals relies heavily on the development of specific k.p Hamiltonians. A more fundamental and symmetry-driven understanding, based solely on crystalline symmetries, remains largely incomplete. In this work, we develop a universal theory consisting of five symmetry-constrained rules to capture the key framework of diverse spin textures (STs) in PT-broken systems. These rules comprehensively classify spatial operations and their combinations with anti-unitary operation T in symmetry-preserved k-invariant subspaces. The theory allows us to address puzzling STs and facilitates the ab initio design of unconventional STs in spin-orbit coupled crystals. Key examples include the identification of vertex-like and windmill-like STs in materials with Dn and Cnv point groups, extending beyond the currently known Radial and Rashba STs. By integrating different types of antiferromagnetic configurations, we also achieve radial STs and the Dresselhaus effect in centrosymmetric systems, challenging the long-standing assumption that these effects exist solely in non-centrosymmetric systems. When combined with topological band theory, we further propose that symmetry-constrained three-dimensional persistent STs can widely exist in two types of non-symmorphic crystals, effectively resolving the ongoing debate regarding their existence.

cond-mat.mtrl-sci↗

arXiv2023

Electronic properties of nickelate superconductor R3Ni2O7 with oxygen vacancies

The discovery of superconductivity in La3Ni2O7 has attracted significant research interest in the field of nickelate superconductors. Despite extensive studies on pristine La3Ni2O7, the impact of oxygen vacancies (VO), a common type of intrinsic defect in oxides, on electronic structures and superconductivity in La3Ni2O7 remains unclear. In this article, we identify the most energetically favorable location for VO formation as the oxygen atom connecting the NiO6 bilayer, resulting in a significant reduction in the lattice constant along the c-axis. Interestingly, the electronic structure undergoes notable changes, particularly for the Ni dz2 and Ni dx2-y2 orbitals. The Ni dz2 orbitals change from partially filled in the pristine La3Ni2O7 to completely filled in the presence of VO, leading to a considerable decrease of its proportion near the Fermi level. Conversely, the proportion of Ni dx2-y2 states increases due to the orbital localization and slight upward shift. Additionally, we observe a significant increase in the hopping of intra-bilayer Ni dz2 orbitals when the VO exists, but with an opposite sign, which differs greatly from the previous understanding. The inter-orbital hopping between Ni dz2 and Ni dx2-y2 orbitals also changes its sign in the presence of VO. Our results indicate that the formation of VO may be harmful to the superconductivity in La3Ni2O7, given the general assumption for the critical role of Ni dz2 in generating superconductivity. Furthermore, we suggest that Ce3Ni2O7, which shares similar electronic structures to La3Ni2O7 but has a larger lattice volume, may be a better candidate for nickelate superconductor due to its lower VO concentration.

cond-mat.mtrl-sci↗

arXiv2023

Solid state defect emitters with no electrical activity

Point defects may introduce defect levels into the fundamental band gap of the host semiconductors that alter the electrical properties of the material. As a consequence, the in-gap defect levels and states automatically lower the threshold energy of optical excitation associated with the optical gap of the host semiconductor. It is, therefore, a common assumption that solid state defect emitters in semiconductors ultimately alter the conductivity of the host. Here we demonstrate on a particular defect in 4H silicon carbide that a yet unrecognized class of point defects exists which are optically active but electrically inactive in the ground state.

cond-mat.mtrl-sci↗

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↗