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Kai Liu

Publications and source records attributed to Kai Liu.

At least 361 records · Page 20Linked to original sources

Band splitting with vanishing spin polarizations in noncentrosymmetric crystals

The Dresselhaus and Rashba effects are well-known phenomena in solid-state physics, in which spin-orbit coupling (SOC) splits spin-up and spin-down energy bands of nonmagnetic non-centrosymmetric crystals. Here, we discover a new phenomenon, dubbed as band splitting with vanishing spin polarizations (BSVSP), in which, as usual, SOC splits the energy bands in nonmagnetic non-centrosymmetric systems; surprisingly, however, both split bands show no net spin polarization along certain high-symmetry lines in the Brillouin zone. In order to rationalize this phenomenon, we propose a new classification of point groups into pseudo-polar and non-pseudo-polar groups. By means of first-principles simulations, we demonstrate that BSVSP can take place in both symmorphic (e.g., bulk GaAs) and non-symmorphic systems (e.g., two dimensional ferroelectric SnTe). Furthermore, we propose a novel linear magnetoelectric coupling in reciprocal space, which could be employed to tune the spin polarization with an external electric field. The BSVSP effect and its manipulation could therefore pave a new way to novel spintronic devices.

cond-mat.mtrl-sci↗

Nanoparticles manipulation in 3D nanotips excited with plasmonic vortex

Recent advances in nanotechnologies have prompted the need for tools to accurately and non invasively manipulate individual nanoobjects. Among the possible strategies, optical forces have been widely used to enable nano optical tweezers capable of trapping or moving a specimen with unprecedented accuracy. Here, we propose an architecture consisting of a nanotip excited with a plasmonic vortex enabling effective dynamical control of nanoparticles in three dimensions. The optical field generated by the structure can be used to manipulate single dielectric nanoparticles acting on the total angular momentum of light used to illuminate the structure. We demonstrate that it is possible to stably trap or force the beaming of the particle from specific points, thus enabling a new platform for nanoparticle manipulation and sorting.

physics.optics↗

Grapheayne: a class of low-energy carbon allotropes with diverse optoelectronic and topological properties

A series of carbon allotropes with novel optoelectronic and rich topological properties is predicted by systematic first-principles calculations. These fascinating carbon allotropes can be derived by inserting acetylenic linkages (-C$\equiv$C-) into graphite, hence they are termed as grapheaynes. Grapheaynes possess two different space groups, $P$2/$m$ or $C$2/$m$, and contain simultaneously the $sp$, $sp^2$, and $sp^3$ chemical bonds. They have formation energies lower than the already experimentally synthesized graphdiyne and other theoretically predicted carbon allotropes with acetylenic linkages. Particularly, when the width $n$ of grapheayne-$n$ exceeds 15, its cohesive energy is lower than that of diamond, and approaches that of graphite with increasing $n$. Remarkably, we find that some grapheaynes behave as semiconductors with direct narrow band gaps and own the highest absorption coefficients among all known semiconducting carbon allotropes, while some others are topological semimetals with nodal lines. Especially, some grapheaynes can be engineered with tunable direct band gaps in the range of 1.07-1.87 eV and have ideal properties for photovoltaic applications. Our work not only uncovers the unique atomic arrangement and prominent properties of the grapheayne family, but also offers a treasury that provides promising materials for catalyst, energy storage, molecular sieves, solar cell, and electronic devices.

cond-mat.mtrl-sci↗

Interlayer quantum transport in Dirac semimetal BaGa$_2$

Quantum limit is quite easy to achieve once the band crossing exists exactly at the Fermi level ($E_F$) in topological semimetals. In multilayered Dirac fermion system, the density of Dirac fermions on the zeroth Landau levels (LLs) increases in proportion to the magnetic field, resulting in intriguing angle- and field-dependent interlayer tunneling conductivity near the quantum limit. BaGa$_2$ is an example of multilayered Dirac semimetal with anisotropic Dirac cone close to $E_F$, providing a good platform to study its interlayer transport properties. In this paper, we report the negative interlayer magnetoresistance (NIMR, I//c and B//c) induced by the tunneling of Dirac fermions on the zeroth LLs of neighbouring Ga layers in BaGa$_2$. When the field deviates from the c-axis, the interlayer resistivity $ρ_{zz}(θ)$ increases and finally results in a peak with the field perpendicular to the c-axis. These unusual interlayer transport properties (NIMR and resistivity peak with B$\perp$c) are observed together for the first time in Dirac semimetal under ambient pressure and are well explained by the model of tunneling between Dirac fermions in the quantum limit.

cond-mat.mtrl-sci↗

Gated Multiple Feedback Network for Image Super-Resolution

The rapid development of deep learning (DL) has driven single image super-resolution (SR) into a new era. However, in most existing DL based image SR networks, the information flows are solely feedforward, and the high-level features cannot be fully explored. In this paper, we propose the gated multiple feedback network (GMFN) for accurate image SR, in which the representation of low-level features are efficiently enriched by rerouting multiple high-level features. We cascade multiple residual dense blocks (RDBs) and recurrently unfolds them across time. The multiple feedback connections between two adjacent time steps in the proposed GMFN exploits multiple high-level features captured under large receptive fields to refine the low-level features lacking enough contextual information. The elaborately designed gated feedback module (GFM) efficiently selects and further enhances useful information from multiple rerouted high-level features, and then refine the low-level features with the enhanced high-level information. Extensive experiments demonstrate the superiority of our proposed GMFN against state-of-the-art SR methods in terms of both quantitative metrics and visual quality. Code is available at https://github.com/liqilei/GMFN.

cs.CV↗

On Regularity of Stochastic Convolutions of Functional Linear Differential Equations with Memory

In this work, we consider the regularity property of stochastic convolutions for a class of abstract linear stochastic retarded functional differential equations with unbounded operator coefficients. We first establish some useful estimates on fundamental solutions which are time delay versions of those on $C_0$-semigroups. To this end, we develop a scheme of constructing the resolvent operators for the integrodifferential equations of Volterra type since the equation under investigation is of this type in each subinterval describing the segment of its solution. Then we apply these estimates to stochastic convolutions of our equations to obtain the desired regularity property.

math.PR↗

Emergent superconductivity in single crystalline $\mathrm{MgTi}_2\mathrm{O}_4$ films via structural engineering

Spinel compounds have demonstrated rich functionalities but rarely shown superconductivity. Here, we report the emergence of superconductivity in the spinel $\mathrm{MgTi}_2\mathrm{O}_4$, known to be an insulator with a complicated order. The superconducting transition is achieved by engineering a superlattice of $\mathrm{MgTi}_2\mathrm{O}_4$ and $\mathrm{SrTiO}_3$. The onset transition temperature in the $\mathrm{MgTi}_2\mathrm{O}_4$ layer can be tuned from 0 to 5 K in such geometry, concurrently with a stretched $c$-axis (from 8.51 to 8.53 Å) compared to the bulk material. Such a positive correlation without saturation suggests ample room for the further enhancement. Intriguingly, the superlattice exhibits isotropic upper critical field $H_{\mathrm{c}2}$ that breaks the Pauli limit, distinct from the highly anisotropic feature of interface superconductivity. The origin of superconductivity in the $\mathrm{MgTi}_2\mathrm{O}_4$ layer is understood in combination with the electron energy loss spectra and the first-principles electronic structure calculations, which point to the birth of superconductivity in the $\mathrm{MgTi}_2\mathrm{O}_4$ layer by preventing the Ti-Ti dimerization. Our discovery not only provides a platform to explore the interplay between the superconductivity and other exotic states, but also opens a new window to realize superconductivity in the spinel compounds as well as other titanium oxides.

cond-mat.supr-con↗

Magnetic exchange induced Weyl state in a semimetal EuCd2Sb2

Magnetic Weyl semimetals (WSMs) bearing long-time pursuing are still very rare. We herein identified magnetic exchange induced Weyl state in EuCd2Sb2, a semimetal in type IV magnetic space group, via performing high magnetic field (B) magneto-transport measurements and ab initio calculations. For the A-type antiferromagnetic (AFM) structure of EuCd2Sb2, external B larger than 3.2 T can align Eu spins to be fully polarized along the c-axis and consequently drive the system into a ferromagnetic (FM) state. Measurements up to B ~ 55 T revealed a striking Shubnikov-de Hass oscillation imposed by a nontrivial Berry phase. We unveiled a phase transition from a small-gap AFM topological insulator into a FM WSM in which Weyl points emerged along the Γ-Z path. Fermi arcs on (100) and (010) surfaces are also revealed. The results pave a way towards realization of various topological states in a single material through magnetic exchange manipulation.

cond-mat.str-el↗

Spherical Principal Component Analysis

Principal Component Analysis (PCA) is one of the most important methods to handle high dimensional data. However, most of the studies on PCA aim to minimize the loss after projection, which usually measures the Euclidean distance, though in some fields, angle distance is known to be more important and critical for analysis. In this paper, we propose a method by adding constraints on factors to unify the Euclidean distance and angle distance. However, due to the nonconvexity of the objective and constraints, the optimized solution is not easy to obtain. We propose an alternating linearized minimization method to solve it with provable convergence rate and guarantee. Experiments on synthetic data and real-world datasets have validated the effectiveness of our method and demonstrated its advantages over state-of-art clustering methods.

cs.LG↗

Early Detection of Influenza outbreaks in the United States

Public health surveillance systems often fail to detect emerging infectious diseases, particularly in resource limited settings. By integrating relevant clinical and internet-source data, we can close critical gaps in coverage and accelerate outbreak detection. Here, we present a multivariate algorithm that uses freely available online data to provide early warning of emerging influenza epidemics in the US. We evaluated 240 candidate predictors and found that the most predictive combination does \textit{not} include surveillance or electronic health records data, but instead consists of eight Google search and Wikipedia pageview time series reflecting changing levels of interest in influenza-related topics. In cross validation on 2010-2016 data, this algorithm sounds alarms an average of 16.4 weeks prior to influenza activity reaching the Center for Disease Control and Prevention (CDC) threshold for declaring the start of the season. In an out-of-sample test on data from the rapidly-emerging fall wave of the 2009 H1N1 pandemic, it recognized the threat five weeks in advance of this surveillance threshold. Simpler algorithms, including fixed week-of-the-year triggers, lag the optimized alarms by only a few weeks when detecting seasonal influenza, but fail to provide early warning in the 2009 pandemic scenario. This demonstrates a robust method for designing next generation outbreak detection algorithms. By combining scan statistics with machine learning, it identifies tractable combinations of data sources (from among thousands of candidates) that can provide early warning of emerging infectious disease threats worldwide.

stat.AP↗

Electronic structures of quasi-one-dimensional cuprate superconductors Ba$_2$CuO$_{3+δ}$

An intact CuO$_2$ plane is widely believed to be a prerequisite for the high-$T_c$ superconductivity in cuprate superconductors. However, an exception may exist in the superconducting Ba$_2$CuO$_{3+δ}$ materials where CuO chains play a more important role. From first-principles density functional theory calculations, we have studied the electronic and magnetic structures of Ba$_2$CuO$_{3+δ}$. The stoichiometric Ba$_2$CuO$_3$ and Ba$_2$CuO$_4$ contain quasi-one-dimensional CuO chains and intact two-dimensional CuO$_2$ planes, respectively. In comparison with the nonmagnetic metal Ba$_2$CuO$_4$, Ba$_2$CuO$_3$ is found to be an antiferromagnetic (AFM) Mott insulator. It possesses a nearest-neighbor intra-chain antiferromagnetic (AFM) coupling and a weak inter-chain interaction, and its lowest unoccupied band and highest occupied band are contributed by Cu 3$d_{b^2-c^2}$-orbital (or $d_{x^2-y^2}$-orbital if we denote the $bc$-plane as the $xy$-plane) and O 2$p$-orbitals, respectively. Total energy calculations indicate that the oxygen vacancies in Ba$_2$CuO$_{3+δ}$ prefer to reside in the planar sites rather than the apical oxygens in the CuO chains, in agreement with the experimental observation. Furthermore, we find that the magnetic frustrations or spin fluctuations can be effectively induced by moderate charge doping. This suggests that the superconducting pairing in oxygen-enriched Ba$_2$CuO$_{3+δ}$ or oxygen-deficient Ba$_2$CuO$_{4-δ}$ is likely to be mainly driven by the AFM fluctuations within CuO chains.

cond-mat.supr-con↗

Hexagonal supertetrahedral boron: A topological metal with multiple spin-orbit-free emergent fermions

We predict a new three-dimensional (3D) boron allotrope based on systematic first-principles electronic structure calculations. This allotrope can be derived by substituting each carbon atom in a hexagonal diamond lattice with a B$_{4}$ tetrahedron and possesses the same space group $P6_{3}/mmc$ as hexagonal diamond, hence it is termed as H-boron. We show that H-boron has good stability and excellent mechanical property. Remarkably, we find that H-boron is a topological metal with rich types of spin-orbit-free emergent fermions, including semi-Dirac fermion, quadratic and linear triple-point fermion, nodal-line fermion, and nodal-surface fermion. We clarify their symmetry protections and characterize them by constructing the corresponding low-energy effective models. Our work not only discovers a new boron allotrope with excellent properties, it also offers a platform to explore interesting physics of new kinds of emergent fermions.

cond-mat.mtrl-sci↗

Possible phonon-induced electronic bi-stability in VO$_2$ for ultrafast memory at room temperature

VO$_{2}$ is a model material system which exhibits a metal to insulator transition at 67$^\circ$C. This holds potential for future ultrafast switching in memory devices, but typically requires a purely electronic process to avoid the slow lattice response. The role of lattice vibrations is thus important, but it is not well understood and it has been a long-standing source of controversy. We use a combination of ultrafast spectroscopy and ab initio quantum calculations to unveil the mechanism responsible for the transition. We identify an atypical Peierls vibrational mode which acts as a trigger for the transition. This rules out the long standing paradigm of a purely electronic Mott transition in VO$_{2}$; however, we found a new electron-phonon pathway for a purely reversible electronic transition in a true bi-stable fashion under specific conditions. This transition is very atypical, as it involves purely charge-like excitations and requires only small nuclear displacement. Our findings will prompt the design of future ultrafast electro-resistive non-volatile memory devices.

cond-mat.str-el↗

Ferromagnetic van der Waals crystal VI3

We report structural, physical properties and electronic structure of van der Waals (vdW) crystal VI3. Detailed analysis reveals that VI3 exhibits a structural transition from monoclinic C2/m to rhombohedral R-3 at Ts ~ 79 K, similar to CrX3 (X = Cl, Br, I). Below Ts, a long-range ferromagnetic (FM) transition emerges at Tc ~ 50 K. The local moment of V in VI3 is close to the high-spin state V3+ ion (S = 1). Theoretical calculation suggests that VI3 may be a Mott insulator with the band gap of about 0.84 eV. In addition, VI3 has a relative small interlayer binding energy and can be exfoliated easily down to few layers experimentally. Therefore, VI3 is a candidate of two-dimensional FM semiconductor. It also provides a novel platform to explore 2D magnetism and vdW heterostructures in S = 1 system.

cond-mat.mtrl-sci↗

Scanning tunneling microscopic evidence of interface enhanced high-Tc superconductivity in Pb islands grown on SrTiO3

The discovery of the interface enhanced superconductivity in the single layer film of FeSe epitaxially grown on SrTiO3 substrates has triggered a flurry of activity in the field of superconductivity. It raised the hope to find more conventional high-Tc superconductors which are purely driven by the electron-phonon interaction at ambient pressure. Here we report the experimental evidence from the measurement of scanning tunneling spectroscopy for the interface enhanced high-Tc superconductivity in the Pb thin film islands grown on SrTiO3 substrates. The superconducting energy gap of the Pb film is found to depend on both the thickness and the volume of the islands. The largest superconducting energy gap is found to be about 10 meV, which is 7 times larger than that in the bulk Pb. The corresponding superconducting transition temperature, estimated by fitting the temperature dependence of the gap values using the BCS formula, is found to be 47 K, again 7 times higher than that of the bulk Pb.

cond-mat.supr-con↗

LnPd$_{2}$Sn (Ln=Sc, Y, Lu) class of Heusler alloys for topological superconductivity

Based on the first-principles electronic structure calculations and the symmetry analysis, we predict that the topological superconductivity may occur on the surface of the LnPd$_{2}$Sn (Ln=Sc, Y, Lu) class of Heusler alloys. The calculated electronic band structure and topological invariant demonstrate that the LnPd$_{2}$Sn family is topologically nontrivial. The further slab calculations show that the nontrivial topological surface states of LnPd$_{2}$Sn exist within the bulk band gap and meanwhile they cross the Fermi level. Considering that the LnPd$_{2}$Sn class of compounds were all found experimentally to be superconducting at low temperature, the surface topological superconductivity is likely to be generated via the proximity effect. Thus the LnPd$_{2}$Sn class of compounds shall be a promising platform for exploring novel topological superconductivity and handling Majorana zero modes.

cond-mat.mtrl-sci↗

Shubnikov-de Haas and de Haas-van Alphen oscillations in topological semimetal CaAl4

We report the magneto-transport properties of CaAl$_4$ single crystals with $C2/m$ structure at low temperature. CaAl$_4$ exhibits large unsaturated magnetoresistance $\sim$3000$\%$ at 2.5 K and 14 T. The nonlinear Hall resistivity is observed, which indicates the multi-band feature. The first-principles calculations show the electron-hole compensation and the complex Fermi surface in CaAl$_4$, to which the two-band model with over-simplified carrier mobility can't completely apply. Evident quantum oscillations have been observed with B//c and B//ab configurations, from which the nontrivial Berry phase is extracted by the multi-band Lifshitz-Kosevich formula fitting. An electron-type quasi-2D Fermi surface is found by the angle-dependent Shubnikov-de Haas oscillations, de Haas-van Alphen oscillations and the first-principles calculations. The calculations also elucidate that CaAl$_4$ owns a Dirac nodal line type band structure around the $Γ$ point in the $Z$-$Γ$-$L$ plane, which is protected by the mirror symmetry as well as the space inversion and time reversal symmetries. Once the spin-orbit coupling is included, the crossed nodal line opens a negligible gap (less than 3 meV). The open-orbit topology is also found in the electron-type Fermi surfaces, which is believed to help enhance the magnetoresistance observed.

cond-mat.mtrl-sci↗

Dropping Symmetry for Fast Symmetric Nonnegative Matrix Factorization

Symmetric nonnegative matrix factorization (NMF), a special but important class of the general NMF, is demonstrated to be useful for data analysis and in particular for various clustering tasks. Unfortunately, designing fast algorithms for Symmetric NMF is not as easy as for the nonsymmetric counterpart, the latter admitting the splitting property that allows efficient alternating-type algorithms. To overcome this issue, we transfer the symmetric NMF to a nonsymmetric one, then we can adopt the idea from the state-of-the-art algorithms for nonsymmetric NMF to design fast algorithms solving symmetric NMF. We rigorously establish that solving nonsymmetric reformulation returns a solution for symmetric NMF and then apply fast alternating based algorithms for the corresponding reformulated problem. Furthermore, we show these fast algorithms admit strong convergence guarantee in the sense that the generated sequence is convergent at least at a sublinear rate and it converges globally to a critical point of the symmetric NMF. We conduct experiments on both synthetic data and image clustering to support our result.

cs.LG↗