arXiv subjects

Huimin Zhang

Publications and source records attributed to Huimin Zhang.

At least 37 records · Page 2Linked to original sources

arXiv2022

Electronically phase separated nano-network in antiferromagnetic insulating LaMnO3/PrMnO3/CaMnO3 tricolor superlattice

Strongly correlated materials often exhibit an electronic phase separation (EPS) phenomena whose domain pattern is random in nature. The ability to control the spatial arrangement of the electronic phases at microscopic scales is highly desirable for tailoring their macroscopic properties and/or designing novel electronic devices. Here we report the formation of EPS nanoscale network in a mono-atomically stacked LaMnO3/CaMnO3/PrMnO3 superlattice grown on SrTiO3 (STO) (001) substrate, which is known to have an antiferromagnetic (AFM) insulating ground state. The EPS nano-network is a consequence of an internal strain relaxation triggered by the structural domain formation of the underlying STO substrate at low temperatures. The same nanoscale network pattern can be reproduced upon temperature cycling allowing us to employ different local imaging techniques to directly compare the magnetic and transport state of a single EPS domain. Our results confirm the one-to-one correspondence between ferromagnetic (AFM) to metallic (insulating) state in manganite. It also represents a significant step in a paradigm shift from passively characterizing EPS in strongly correlated systems to actively engaging in its manipulation.

cond-mat.str-el↗

arXiv2022

Magneto-optical Kerr effect and magnetoelasticity in weak ferromagnetic RuF$_4$ monolayer

Considerable research interest has been attracted to noncollinear magnetic structures for their intriguing physics and promising applications. In this work, based on relativistic density functional theory, we reveal the interesting magnetic order and relevant properties in monolayer RuF$_4$, which can be exfoliated from its bulk phase. Although the spins on Ru ions are almost antiferromagnetically aligned between nearest-neighbors, weak ferromagnetism is generated because of the antisymmetric Dzyaloshinskii-Moriya interaction as well as the single-ion anisotropy. A prominent magneto-optical Kerr effect can be observed for this antiferromagnet, similar to those of regular strong ferromagnets. In addition, a uniaxial strain can induce a ferroelastic switching together with the in-plane rotation of spin direction, giving rise to a strong intrinsic magnetoelasticity. Our work not only suggests an alternative direction for two-dimensional magnetic materials, but also provides hints to future devices based on antiferromagnetic magnetoelastic or magneto-optical materials.

cond-mat.mtrl-sci↗

arXiv2022

Flat-band based ferromagnetic semiconducting state in the graphitic C$_4$N$_3$ monolayer

A new set of lattice-models based on the hexagonal $\sqrt{N}\times\sqrt{N}$ super-cells of the well-known honeycomb lattice with single-hole defect (HL-D-1/2N) are proposed to realize the nontrivial isolated flat-bands. Through performing both tight-binding and density functional theory calculations, we demonstrate that the experimentally realized graphitic carbon nitride (Adv. Mater., 22, 1004, 2010; Nat. Commun., 9, 3366, 2018), the HL-D-1/8 based C$_4$N$_3$, is a perfect system to host such flat bands. For the flat high-energy P-6m2 C$_4$N$_3$ structure, it displays the ferromagnetic half-metallicity which is not related to the isolated flat bands. However, the P-6m2 C$_4$N$_3$ structure is dynamically unstable. Using a structure searching method based on group and graph theory, we find that a new corrugated Pca21 C4N3 structure has the lowest energy among all known C$_4$N$_3$ structures. This Pca21 C$_4$N$_3$ structure is an intrinsic ferromagnetic half-semiconductor (Tc$\approx$241 K) with one semiconducting spin-channel (1.75 eV) and one insulating spin-channel (3.64 eV), which is quite rare in the two-dimensional (2D) systems. Its ferromagnetic semiconducting property originates from the isolated p$_z$-state flat-band as the corrugation shift the flat band upward to the Fermi level. Interestingly, this Pca21 C$_4$N$_3$ structure is found to be piezoelectric and ferroelectric, which makes C$_4$N$_3$ an unusual transition-metal-free 2D multiferroic.

cond-mat.mtrl-sci↗

arXiv2022

FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction

Deep learning is an important method for molecular design and exhibits considerable ability to predict molecular properties, including physicochemical, bioactive, and ADME/T (absorption, distribution, metabolism, excretion, and toxicity) properties. In this study, we advanced a novel deep learning architecture, termed FP-GNN, which combined and simultaneously learned information from molecular graphs and fingerprints. To evaluate the FP-GNN model, we conducted experiments on 13 public datasets, an unbiased LIT-PCBA dataset, and 14 phenotypic screening datasets for breast cell lines. Extensive evaluation results showed that compared to advanced deep learning and conventional machine learning algorithms, the FP-GNN algorithm achieved state-of-the-art performance on these datasets. In addition, we analyzed the influence of different molecular fingerprints, and the effects of molecular graphs and molecular fingerprints on the performance of the FP-GNN model. Analysis of the anti-noise ability and interpretation ability also indicated that FP-GNN was competitive in real-world situations.

q-bio.MN↗

arXiv2022

Selective Trapping of Hexagonally Warped Topological Surface States in a Triangular Quantum Corral

The surface of a three-dimensional topological insulator (TI) hosts two-dimensional massless Dirac fermions (DFs), the gapless and spin-helical nature of which yields many exotic phenomena, such as the immunity of topological surface states (TSS) to back-scattering. This leads to their high transmission through surface defects or potential barriers. Quantum corrals, previously elaborated on metal surfaces, can act as nanometer-sized electronic resonators to trap Schrödinger electrons by quantum confinement. It is thus intriguing, concerning their peculiar nature, to put the Dirac electrons of TSS to the test in similar circumstances. Here, we report the behaviors of TSS in a triangular quantum corral (TQC) fabricated by epitaxially growing Bi bilayer nanostructures on the surfaces of Bi2Te3 films. Unlike a circular corral, the TQC is supposed to be totally transparent for DFs. By mapping the electronic structure of TSS inside TQCs through a low-temperature scanning tunneling microscope in the real space, both the trapping and de-trapping behaviors of the TSS electrons are observed. The selection rules are found to be governed by the geometry and spin texture of the constant energy contour of TSS upon the strong hexagonal warping in Bi2Te3. Careful analysis of the quantum interference patterns of quasi-bound states yields the corresponding wave vectors of trapped TSS, through which two trapping mechanisms favoring momenta in different directions are uncovered. Our work indicates the extended nature of TSS and elucidates the selection rules of the trapping of TSS in the presence of a complicated surface state structure, giving insights into the effective engineering of DFs in TIs.

cond-mat.mes-hall↗

arXiv2021

Analytic twists of $\rm GL_2\times\rm GL_2$ automorphic forms

Let $f$ and $g$ be holomorphic or Maass cusp forms for $\rm SL_2(\mathbb{Z})$ with normalized Fourier coefficients $λ_f(n)$ and $λ_g(n)$, respectively. In this paper, we prove nontrivial estimates for the sum $$ \sum_{n=1}^{\infty}λ_f(n) λ_g(n)e\left(t φ\left(\frac{n}{X}\right)\right)V\left(\frac{n}{X}\right), $$ where $e(x)=e^{2πix}$, $V(x)\in \mathcal{C}_c^{\infty}(1,2)$, $t\geq 1$ is a large parameter and $φ(x)$ is some nonlinear real valued smooth function. Applications of these estimates include a subconvex bound for the Rankin-Selberg $L$-function $L(s,f\otimes g)$ in the $t$-aspect, an improved estimate for a nonlinear exponential twisted sum and the following asymptotic formula for the sum of the Fourier coefficients of certain $\rm{GL}_5$ Eisenstein series $$ \sum_{n \leq X}λ_{1\boxplus(f\times g)}(n) =L(1,f\times g)X + O(X^{\frac{2}{3}-\frac{1}{356}+\varepsilon}) $$ for any $\varepsilon>0$.

math.NT↗

arXiv2021

Higher-Order Topology in Monolayer FeSe

Generally, the topological corner state in two-dimensional second-order topological insulator (2D SOTI) is equivalent to the well-known domain wall state, originated from the mass-inversion between two adjacent edges with phase shift of pi. In this work, go beyond this conventional physical picture, we report a fractional mass-kink induced 2D SOTI in monolayer FeSe with canted checkerboard antiferromagnetic (AFM) order by analytic model and first-principles calculations. The canted spin associated in-plane Zeeman field can gap out the quantum spin Hall edge state of FeSe, forming a fractional mass-kink with phase shift of pi/2 at the rectangular corner, and generating an in-gap topological corner state with fractional charge of e/4. Moreover, the topological corner state is robust to local perturbation, existing in both naturally and non-naturally cleaved corners, regardless of the edge orientation. Our results not only demonstrate a material system to realize the unique 2D AFM SOTI, but also pave a new way to design the higher-order topological states from fractional mass-kink with arbitrary phase shift, which are expected to draw immediate experimental attention.

cond-mat.mes-hall↗

arXiv2020

Learning Scalable Multi-Agent Coordination by Spatial Differentiation for Traffic Signal Control

The intelligent control of the traffic signal is critical to the optimization of transportation systems. To achieve global optimal traffic efficiency in large-scale road networks, recent works have focused on coordination among intersections, which have shown promising results. However, existing studies paid more attention to observations sharing among intersections (both explicit and implicit) and did not care about the consequences after decisions. In this paper, we design a multiagent coordination framework based on Deep Reinforcement Learning methods for traffic signal control, defined as γ-Reward that includes both original γ-Reward and γ-Attention-Reward. Specifically, we propose the Spatial Differentiation method for coordination which uses the temporal-spatial information in the replay buffer to amend the reward of each action. A concise theoretical analysis that proves the proposed model can converge to Nash equilibrium is given. By extending the idea of Markov Chain to the dimension of space-time, this truly decentralized coordination mechanism replaces the graph attention method and realizes the decoupling of the road network, which is more scalable and more in line with practice. The simulation results show that the proposed model remains a state-of-the-art performance even not use a centralized setting. Code is available in https://github.com/Skylark0924/Gamma Reward.

cs.AI↗

arXiv2020

A Multi-Modal States based Vehicle Descriptor and Dilated Convolutional Social Pooling for Vehicle Trajectory Prediction

Precise trajectory prediction of surrounding vehicles is critical for decision-making of autonomous vehicles and learning-based approaches are well recognized for the robustness. However, state-of-the-art learning-based methods ignore 1) the feasibility of the vehicle's multi-modal state information for prediction and 2) the mutual exclusive relationship between the global traffic scene receptive fields and the local position resolution when modeling vehicles' interactions, which may influence prediction accuracy. Therefore, we propose a vehicle-descriptor based LSTM model with the dilated convolutional social pooling (VD+DCS-LSTM) to cope with the above issues. First, each vehicle's multi-modal state information is employed as our model's input and a new vehicle descriptor encoded by stacked sparse auto-encoders is proposed to reflect the deep interactive relationships between various states, achieving the optimal feature extraction and effective use of multi-modal inputs. Secondly, the LSTM encoder is used to encode the historical sequences composed of the vehicle descriptor and a novel dilated convolutional social pooling is proposed to improve modeling vehicles' spatial interactions. Thirdly, the LSTM decoder is used to predict the probability distribution of future trajectories based on maneuvers. The validity of the overall model was verified over the NGSIM US-101 and I-80 datasets and our method outperforms the latest benchmark.

eess.SP↗

arXiv2019

Evidence for d-wave superconductivity in single layer FeSe/SrTiO3 probed by quasiparticle scattering off step edges

The de Gennes extrapolation length is a direction dependent measure of the spatial evolution of the pairing gap near the boundary of a superconductor, and thus provides a viable means to probe its symmetry. It is expected to be infinite and isotropic for plain s-wave pairing, and finite and anisotropic for d-wave. Here, we synthesize single layer FeSe films on SrTiO3(001) (STO) substrates by molecular beam epitaxy, and measure the de Gennes extrapolation length by scanning tunneling microscopy/spectroscopy. We find a 40% reduction of the superconducting gap near specular [110]Fe edges, yielding an extrapolation length of 8.0 nm. However, near specular [010]Fe edges the extrapolation length is nearly infinite. These findings are consistent with a phase changing pairing with 2-fold symmetry, indicating d-wave superconductivity. This is further supported by the presence of in-gap states near the specular [110]Fe edges, but not the [010]Fe edges. This work provides direct experimental evidence for d-wave superconductivity in single layer FeSe/STO, and demonstrates quasiparticle scattering at boundaries to be a viable phase sensitive probe of pairing symmetry in Fe-based superconductors.

cond-mat.supr-con↗

arXiv2017

Origin of charge transfer and enhanced electron-phonon coupling in single unit-cell FeSe films on SrTiO3

Interface charge transfer and electron-phonon coupling have been suggested to play a crucial role in the recently discovered high-temperature superconductivity of single unit-cell FeSe films on SrTiO3. However, their origin remains elusive. Here, using ultraviolet photoemission spectroscopy (UPS) and element-sensitive X-ray photoemission spectroscopy (XPS), we identify the strengthened Ti-O bond that contributes to the interface enhanced electron-phonon coupling and unveil the band bending at the FeSe/SrTiO3 interface that leads to the charge transfer from SrTiO3 to FeSe films. We also observe band renormalization that accompanies the onset of superconductivity. Our results not only provide valuable insights into the mechanism of the interface-enhanced superconductivity, but also point out a promising route towards designing novel superconductors in heterostructures with band-bending induced charge transfer and interfacial enhanced electron-phonon coupling.

cond-mat.supr-con↗

arXiv2017

Appearance and disappearance of ferromagnetism in ultra-thin LaMnO$_3$ on SrTiO$_3$ substrate: a viewpoint from first-principles

The intrinsic magnetic state (ferromagnetic or antiferromagnetic) of ultra-thin LaMnO$_3$ films on the mostly used SrTiO$_3$ substrate is a long-existing question under debate. Either strain effect or non-stoichiometry was argued to be responsible for the experimental ferromagnetism. In a recent experiment [Science \textbf{349}, 716 (2015)], one more mechanism, namely the self-doping due to polar discontinuity, was argued to be the driving force of ferromagnetism beyond the critical thickness. Here systematic first-principles calculations have been performed to check these mechanisms in ultra-thin LaMnO$_3$ films as well as superlattices. Starting from the very precise descriptions of both LaMnO$_3$ and SrTiO$_3$, it is found that the compressive strain is the dominant force for the appearance of ferromagnetism, while the open surface with oxygen vacancies leads to the suppression of ferromagnetism. Within LaMnO$_3$ layers, the charge reconstructions involve many competitive factors and certainly go beyond the intuitive polar catastrophe model established for LaAlO$_3$/SrTiO$_3$ heterostructures. Our study not only explains the long-term puzzle regarding the magnetism of ultra-thin LaMnO$_3$ films, but also shed light on how to overcome the notorious magnetic dead layer in ultra-thin manganites.

cond-mat.mtrl-sci↗

arXiv2017

Magnetic and electronic properties of La$_3M$O$_7$ and possible polaron formation in hole-doped La$_3M$O$_7$ ($M$=Ru and Os)

Oxides with $4d$/$5d$ transition metal ions are physically interesting for their particular crystalline structures as well as the spin-orbit coupled electronic structures. Recent experiments revealed a series of $4d$/$5d$ transition metal oxides $R_3M$O$_7$ ($R$: rare earth; $M$: $4d$/$5d$ transition metal) with unique quasi-one-dimensional $M$ chains. Here first-principles calculations have been performed to study the electronic structures of La$_3$OsO$_7$ and La$_3$RuO$_7$. Our study confirm both of them to be Mott insulating antiferromagnets with identical magnetic order. The reduced magnetic moments, which are much smaller than the expected value for ideal high-spin state ($3$ $t_{2g}$ orbitals occupied), are attributed to the strong $p-d$ hybridization with oxygen ions, instead of the spin-orbit coupling. The Ca-doping to La$_3$OsO$_7$ and La$_3$RuO$_7$ can not only modulate the nominal carrier density but also affect the orbital order as well as the local distortions. The Coulombic attraction and particular orbital order would prefer to form polarons, which might explain the puzzling insulating behavior of doped $5d$ transition metal oxides. In addition, our calculation predict that the Ca-doping can trigger ferromagnetism in La$_3$RuO$_7$ but not in La$_3$OsO$_7$.

cond-mat.mtrl-sci↗

arXiv2016

User Personalized Satisfaction Prediction via Multiple Instance Deep Learning

Community based question answering services have arisen as a popular knowledge sharing pattern for netizens. With abundant interactions among users, individuals are capable of obtaining satisfactory information. However, it is not effective for users to attain answers within minutes. Users have to check the progress over time until the satisfying answers submitted. We address this problem as a user personalized satisfaction prediction task. Existing methods usually exploit manual feature selection. It is not desirable as it requires careful design and is labor intensive. In this paper, we settle this issue by developing a new multiple instance deep learning framework. Specifically, in our settings, each question follows a weakly supervised learning multiple instance learning assumption, where its obtained answers can be regarded as instance sets and we define the question resolved with at least one satisfactory answer. We thus design an efficient framework exploiting multiple instance learning property with deep learning to model the question answer pairs. Extensive experiments on large scale datasets from Stack Exchange demonstrate the feasibility of our proposed framework in predicting askers personalized satisfaction. Our framework can be extended to numerous applications such as UI satisfaction Prediction, multi armed bandit problem, expert finding and so on.

cs.IR↗

arXiv2016

Block antiferromagnetism and possible ferroelectricity in KFe$_2$Se$_2$

Superconductors and multiferroics are two of the hottest branches in condensed matter physics. The connections between those two fields are fundamentally meaningful to unify the physical rules of correlated electrons. Recently, BaFe$_2$Se$_3$, was predicted to be multiferroic [Phys. Rev. Lett. 113, 187204 (2014)] due to its unique one-dimensional block-type antiferromagnetism. Here, another iron-selenide KFe$_2$Se$_2$, a parent state of iron-based superconductor, is predicted to be multiferroic. Its two-dimensional block-type antiferromagnetism can generate a moderate electric dipole for each Fe-Se layer via the Fe-Se-Fe exchange striction. Different stacking configurations of these magnetic blocks give closely proximate energies and thus the ground state of KFe$_2$Se$_2$ may be switchable between antiferroelectric and ferroelectric phases.

cond-mat.mtrl-sci↗

arXiv2015

Possible ferrimagnetism and ferroelectricity of half-substituted rare-earth titanate: a first-principles study on Y$_{0.5}$La$_{0.5}$TiO$_3$

Titanates with the perovskite structure, including ferroelectrics (e.g., BaTiO$_3$) and ferromagnetic ones (e.g., YTiO$_3$), are important functional materials. Recent theoretical studies predicted multiferroic states in strained EuTiO$_3$ and titanate superlattices, the former of which has already been experimental confirmed. Here, a first-principles calculation is performed to investigate the structural, magnetic, and electronic properties of Y half-substituted LaTiO3. Our results reveal that the magnetism of Y$_{0.5}$La$_{0.5}$TiO$_3$ sensitively depends on its structural details because of the inherent phase competition. The lowest energy state is the ferromagnetic state, resulting in 0.25 $μ_{\rm B}$/Ti. Furthermore, some configurations of Y$_{0.5}$La$_{0.5}$TiO$_3$ exhibit hybrid improper polarizations, which can be significantly affected by magnetism, resulting in the multiferroic properties. Because of the quenching disorder of substitution, the real Y$_{0.5}$La$_{0.5}$TiO3 material with random A-site ions may exhibit interesting relaxor behaviors.

cond-mat.mtrl-sci↗

arXiv2015

Orientation-dependent ferroelectricity of strained PbTiO$_3$ films

PbTiO$_3$ is a simple but very important ferroelectric oxide that has been extensively studied and widely used in various technological applications. However, most previous studies and applications were based on the bulk material or the conventional [$001$]-orientated films. There are few studies on PbTiO$_3$ films grown along other crystalline axes. In this study, a first-principles calculation was performed to compute the polarization of PbTiO$_3$ films strained by SrTiO$_3$ and LaAlO$_3$ substrates. Our results show that the polarization of PbTiO$_3$ films strongly depends on the growth orientation as well as the monoclinic angles. Further, it is suggested that the ferroelectricity of PbTiO$_3$ mainly depends on the tetragonality of the lattice, instead of the simple strain.

cond-mat.mtrl-sci↗

arXiv2015

Charge transfer and hybrid ferroelectricity in (YFeO$_{3}$)$_{n}$/(YTiO$_{3}$)$_{n}$ magnetic superlattices

Interfaces in oxide heterostructures always provide a fertile ground for emergent properties. Charge transfer from a high energy band to a low energy opponent is naturally expected, as occurring in semiconductor $p$-$n$ junctions. In this study, several exceptional physical phenomena have been predicted in (YFeO$_3$)$_n$/(YTiO$_3$)$_n$ superlattices. First, the charge transfer between these Mott insulators is in opposite to the intuitive band alignment scenario. Second, hybrid ferroelectricity with a moderate polarization is generated in the $n=2$ magnetic superlattice. Furthermore, the ferroelectric-type distortion can persist even if the ($AB$O$_3$)$_2$/($AB$'O$_3$)$_2$ system turns to be metallic, rending possible metallic ferroelectricity.

cond-mat.str-el↗