arXiv subjects

Kai Liu

Publications and source records attributed to Kai Liu.

At least 325 records · Page 18Linked to original sources

arXiv2021

SA-MATD3:Self-attention-based multi-agent continuous control method in cooperative environments

Cooperative problems under continuous control have always been the focus of multi-agent reinforcement learning. Existing algorithms suffer from the problem of uneven learning degree with the increase of the number of agents. In this paper, a new structure for a multi-agent actor critic is proposed, and the self-attention mechanism is applied in the critic network and the value decomposition method used to solve the uneven problem. The proposed algorithm makes full use of the samples in the replay memory buffer to learn the behavior of a class of agents. First, a new update method is proposed for policy networks that promotes learning efficiency. Second, the utilization of samples is improved, at the same time reflecting the ability of perspective-taking among groups. Finally, the "deceptive signal" in training is eliminated and the learning degree among agents is more uniform than in the existing methods. Multiple experiments were conducted in two typical scenarios of a multi-agent particle environment. Experimental results show that the proposed algorithm can perform better than the state-of-the-art ones, and that it exhibits higher learning efficiency with an increasing number of agents.

cs.MA↗

arXiv2021

Theoretical design of all-carbon networks with intrinsic magnetism

To induce intrinsic magnetism in the nominally nonmagnetic carbon materials containing only $s$ and $p$ electrons is an intriguing yet challenging task. Here, based on first-principles electronic structure calculations, we propose a universal approach inspired by Ovchinnikov's rule to guide us the design of a series of imaginative magnetic all-carbon structures. The idea is to combine the differently stacked graphene layers via the acetylenic linkages (-C$\equiv$C-) to obtain a class of two-dimensional (2D) and three-dimensional (3D) carbon networks. With first-principles electronic structure calculations, we confirm the effectiveness of this approach via concrete examples of double-layer ALBG-C14, triple-layer ALTG-C22, and bulk IALG-C30. We show that these materials are antiferromagnetic (AFM) semiconductors with intralayer Néel and interlayer AFM couplings. According to the above idea, our work not only provides a promising design scheme for magnetic all-carbon materials, but also can apply to other $π$-bonding network systems.

cond-mat.mtrl-sci↗

arXiv2021

First-principles study on the electron-phonon coupling and magnetoresistance of LaBi under pressure

The extremely large magnetoresistance (XMR) material LaBi was reported to become superconducting under pressure accompanying with suppressed magnetoresistance. However, the underlying mechanism is unclear. By using first-principles electronic structure calculations in combination with a semiclassical model, we have studied the electron-phonon coupling and magnetoresistance of LaBi in the pressure range from 0 to 18 GPa. Our calculations show that LaBi undergoes a structural phase transition from a face-centered cubic lattice to a primitive tetragonal lattice at $\sim$7 GPa, verifying previous experimental results. Meanwhile, LaBi remains topologically nontrivial across the structural transition. Under all pressures that we have studied, the phonon-mediated mechanism based on the weak electron-phonon coupling cannot account for the observed superconductivity in LaBi, and the calculated magnetoresistance for LaBi does not show a suppression. The distinct difference between our calculations and experimental observations suggests either the existence of extra Bi impurities in the real LaBi compound or the possibility of other unknown mechanism.

cond-mat.supr-con↗

arXiv2021

SrPd, a candidate material with extremely large magnetoresistance

The extremely large magnetoresistance (XMR) effect in nonmagnetic semimetals have attracted intensive attention recently. Here we propose an XMR candidate material SrPd based on first-principles electronic structure calculations in combination with a semi-classical model. The calculated carrier densities in SrPd indicate that there is a good electron-hole compensation, while the calculated intrinsic carrier mobilities are as high as 10$^5$ cm$^2$V$^{-1}$s$^{-1}$. There are only two doubly degenerate bands crossing the Fermi level for SrPd, thus a semi-classical two-band model is available for describing its transport properties. Accordingly, the magnetoresistance of SrPd under a magnetic field of $4$ Tesla is predicted to reach ${10^5} \%$ at low temperature. Furthermore, the calculated topological invariant indicates that SrPd is topologically trivial. Our theoretical studies suggest that SrPd can serve as an ideal platform to examine the charge compensation mechanism of the XMR effect.

cond-mat.mtrl-sci↗

arXiv2021

$R$RuB$_{2}$ ($R$=Y, Lu), topological superconductor candidates with hourglass-type Dirac ring

Topological properties and topological superconductivity in real materials have attracted intensive experimental and theoretical attention recently. Based on symmetry analysis and first-principles electronic structure calculations, we predict that $R$RuB$_{2}$ ($R$=Y, Lu) are not only topological superconductor (TSC) candidates, but also own the hybrid hourglass-type Dirac ring which is protected by the nonsymmorphic space group symmetry. Due to the band inversion around the time-reversal invariant $Γ$ point in the Brillouin zone,$R$RuB$_{2}$ also have Dirac topological surface states (TSSs). More importantly, their TSSs on the (010) surface are within the band gap of bulk and cross the Fermi level, which form single Fermi surfaces. Considering the fact that both YRuB$_{2}$ and LuRuB$_{2}$ are superconductors with respective superconducting transition temperatures ($T_c$) of 7.6 K and 10.2 K, the superconducting bulks will likely induce superconductivity in the TSSs via the proximity effect. The ternary borides $R$RuB$_{2}$ may thus provide a very promising platform for studying the properties of topological superconductivity and hourglass fermions in the future experiments.

cond-mat.supr-con↗

arXiv2021

First-principles study of the robust superconducting state of NbTi alloys under ultrahigh pressures

A recent experiment reported that robust superconductivity appears in NbTi alloys under ultrahigh pressures with an almost constant superconducting $T_c$ of ~19 K from 120 to 261.7 GPa [J. Guo et al., Adv. Mater. 31, 1807240 (2019)], which is very rare among the known superconductors. We investigate the origin of this novel superconducting behavior in NbTi alloys based on density functional theory and density functional perturbation theory calculations. Our results indicate that the pressure tends to transform NbTi alloys from a random phase to a uniformly ordered crystal phase, and the exotic robust superconductivity of NbTi alloys can still be understood in the framework of BCS theory. The Nb element in NbTi alloys plays a dominant role in the superconductivity at low pressure, while the NbTi crystal with an alternative and uniform Nb and Ti atomic arrangement may be responsible for the stable superconductivity under high pressures. The robust superconducting transition temperature of NbTi under ultrahigh pressure can be explained by a synergistic effect of the enhanced phonon frequency, the modestly reduced total electron-phonon coupling, and the pressure-dependent screened Coulomb repulsion.

cond-mat.supr-con↗

arXiv2021

LaO as a candidate substrate for realizing superconductivity in FeSe epitaxial film

The significantly enhanced superconducting transition temperature ($T_c$) of an FeSe monolayer on SrTiO$_3$(001) substrate has attracted extensive attention in recent years. Here, based on first-principles electronic structure calculations, we propose another candidate substrate LaO(001) for the epitaxial growth of FeSe monolayer to realize superconductivity. Our calculations show that for the optimal adsorption structure of FeSe monolayer on LaO(001), the stripe antiferromagnetic state and the dimer antiferromagnetic state are almost energetically degenerate, indicating the existence of strong magnetic fluctuation that is beneficial to the appearance of superconductivity. According to the Bader charge analysis, the calculated electron doping from the LaO substrate to the FeSe monolayer is about 0.18 electrons per Fe atom, even larger than that in case of FeSe/SrTiO$_3$(001). Since LaO was also reported to be a superconductor with $T_c$ ~ 5 K, it may have a superconducting proximity effect on the epitaxial FeSe film and vice versa. These results suggest that LaO would be an interesting substrate to study the interface-related superconductivity.

cond-mat.supr-con↗

arXiv2021

Large anomalous Hall effect induced by gapped nodal lines in GdZn and GdCd

The topological properties and intrinsic anomalous Hall effect of CsCl-type ferromagnets GdZn and GdCd have been studied based on first-principles electronic structure calculations. According to the calculated band structures, both GdZn and GdCd host nodal lines near the Fermi level. Once the magnetization breaks the mirror symmetries, the nodal lines are gapped. This can create a huge Berry curvature. A large anomalous Hall effect is then generated when the Fermi level resides within the opened gaps of the nodal lines. Our works indicate that GdZn and GdCd can provide a promising platform for exploring the interplay between topological property and magnetism.

cond-mat.mtrl-sci↗

arXiv2021

Topological properties of Mo$_{2}$C and W$_{2}$C superconductors

The topological electronic properties of orthorhombic-phase Mo$_{2}$C and W$_{2}$C superconductors have been studied based on first-principles electronic structure calculations. Our studies show that both Mo$_{2}$C and W$_{2}$C are three-dimensional strong topological insulators defined on curved Fermi levels. The topological surface states on the (001) surface of Mo$_{2}$C right cross the Fermi level, while those of W$_{2}$C pass through the Fermi level with slight electron doping. These surface states hold helical spin textures and can be induced to become superconducting via a proximity effect, giving rise to an equivalent $p+ip$ type superconductivity. Our results show that Mo$_{2}$C and W$_{2}$C can provide a promising platform for exploring topological superconductivity and Majorana zero modes.

cond-mat.supr-con↗

arXiv2021

First-principles study on the double-dome superconductivities in kagome material CsV$_3$Sb$_5$ under pressure

Recent high pressure experiments discovered abnormal double-dome superconductivities in the newly-synthesized kagome materials $A$V$_3$Sb$_5$ ($A$ = K, Rb, Cs), which also host abundant emergent quantum phenomena such as charge density wave (CDW), anomalous Hall effect, nontrivial topological property, etc. In this work, by using first-principles electronic structure calculations, we have studied the CDW state, superconductivity, and topological property in CsV$_3$Sb$_5$ under pressures ($<$ 50 GPa). Based on the electron-phonon coupling theory, our calculated superconducting $T_\text{c}$s are consistent with the observed ones in the second superconducting dome at high pressure, but are much higher than the measured values at low pressure. The further calculations including the Hubbard U indicate that with modest electron-electron correlation the magnetism on the V atoms exists at low pressure and diminishes gradually at high pressure. We thus propose that the experimentally observed superconductivity in CsV$_3$Sb$_5$ at ambient/low pressures may still belong to the conventional Bardeen-Cooper-Schrieffer (BCS) type but is partially suppressed by the V magnetism, while the superconductivity under high pressure is fully conventional without invoking the magnetism. We also predict that there are a second weak CDW state and topological phase transitions in CsV$_3$Sb$_5$ under pressures. Our theoretical assertion calls for future experimental examination.

cond-mat.supr-con↗

arXiv2021

Pressure-induced Superconductivity at 32 K in MoB2

Since the discovery of superconductivity in MgB2 (Tc ~ 39 K), the search for superconductivity in related materials with similar structures or ingredients has never stopped. Although about 100 binary borides have been explored, only few of them show superconductivity with relatively low Tc. In this work, we report the discovery of superconductivity up to 32 K in MoB2 under pressure which is the highest Tc in transition-metal borides. Although the Tc can be well explained by theoretical calculations in the framework of electron-phonon coupling, the d-electrons and phonon modes of transition metal Mo atoms play utterly important roles in the emergence of superconductivity in MoB2, distinctly different from the case of well-known MgB2. Our study sheds light on the exploration of high-Tc superconductors in transition metal borides.

cond-mat.supr-con↗

arXiv2021

RocketQA: An Optimized Training Approach to Dense Passage Retrieval for Open-Domain Question Answering

In open-domain question answering, dense passage retrieval has become a new paradigm to retrieve relevant passages for finding answers. Typically, the dual-encoder architecture is adopted to learn dense representations of questions and passages for semantic matching. However, it is difficult to effectively train a dual-encoder due to the challenges including the discrepancy between training and inference, the existence of unlabeled positives and limited training data. To address these challenges, we propose an optimized training approach, called RocketQA, to improving dense passage retrieval. We make three major technical contributions in RocketQA, namely cross-batch negatives, denoised hard negatives and data augmentation. The experiment results show that RocketQA significantly outperforms previous state-of-the-art models on both MSMARCO and Natural Questions. We also conduct extensive experiments to examine the effectiveness of the three strategies in RocketQA. Besides, we demonstrate that the performance of end-to-end QA can be improved based on our RocketQA retriever.

cs.CL↗

arXiv2021

Exact Sparse Orthogonal Dictionary Learning

Over the past decade, learning a dictionary from input images for sparse modeling has been one of the topics which receive most research attention in image processing and compressed sensing. Most existing dictionary learning methods consider an over-complete dictionary, such as the K-SVD method, which may result in high mutual incoherence and therefore has a negative impact in recognition. On the other side, the sparse codes are usually optimized by adding the $\ell_0$ or $\ell_1$-norm penalty, but with no strict sparsity guarantee. In this paper, we propose an orthogonal dictionary learning model which can obtain strictly sparse codes and orthogonal dictionary with global sequence convergence guarantee. We find that our method can result in better denoising results than over-complete dictionary based learning methods, and has the additional advantage of high computation efficiency.

eess.IV↗

arXiv2021

Fermat functional equations over Riemann surfaces

We investigate the existence of non-trivial holomorphic and meromorphic solutions of Fermat functional equations over an open Riemann surface $S$. When $S$ is hyperbolic, we prove that any $k$-term Fermat functional equation always exists non-trivial holomorphic and meromorphic solution. When $S$ is a general open Riemann surface, we prove that every non-trivial holomorphic or meromorphic solution satisfies a growth condition, provided that the power exponents of the equations are bigger than some certain positive integers.

math.CV↗

arXiv2021

Ionic liquid gating induced two superconductor-insulator phase transitions in spinel oxide Li$_{1 \pm x}$Ti$_2$O$_{4-δ}$

The associations between emergent physical phenomena (e.g., superconductivity) and orbital, charge, and spin degrees of freedom of $3d$ electrons are intriguing in transition metal compounds. Here, we successfully manipulate the superconductivity of spinel oxide Li$_{1\pm x}$Ti$_2$O$_{4-δ}$ (LTO) by ionic liquid gating. A dome-shaped superconducting phase diagram is established, where two insulating phases are disclosed both in heavily electron-doping and hole-doping regions. The superconductor-insulator transition (SIT) in the hole-doping region can be attributed to the loss of Ti valence electrons. In the electron-doping region, LTO exhibits an unexpected SIT instead of a metallic behavior despite an increase in carrier density. Furthermore, a thermal hysteresis is observed in the normal state resistance curve, suggesting a first-order phase transition. We speculate that the SIT and the thermal hysteresis stem from the enhanced $3d$ electron correlations and the formation of orbital ordering by comparing the transport and structural results of LTO with the other spinel oxide superconductor MgTi$_2$O$_4$, as well as analysing the electronic structure by first-principles calculations. Further comprehension of the detailed interplay between superconductivity and orbital ordering would contribute to the revealing of unconventional superconducting pairing mechanism.

cond-mat.supr-con↗

arXiv2021

Efficient and Robust Metallic Nanowire Foams for Deep Submicrometer Particulate Filtration

The on-going COVID-19 pandemic highlights the severe health risks posed by deep submicron sized airborne viruses and particulates in the spread of infectious diseases. There is an urgent need for the development of efficient, durable and reusable filters for this size range. Here we report the realization of efficient particulate filters using nanowire-based low-density metal foams which combine extremely large surface areas with excellent mechanical properties. The metal foams exhibit outstanding filtration efficiencies (>96.6%) in the PM_{0.3} regime, with potentials for further improvement. Their mechanical stability and light weight, chemical and radiation resistance, ease of cleaning and reuse, and recyclability further make such metal foams promising filters for combating COVID-19 and other types of airborne particulates.

cond-mat.mtrl-sci↗

arXiv2021

Observation of hydrogen-induced Dzyaloshinskii-Moriya interaction and reversible switching of magnetic chirality

The Dzyaloshinskii-Moriya interaction (DMI) has drawn great attention as it stabilizes magnetic chirality, with important implications in fundamental and applied research. This antisymmetric exchange interaction is induced by the broken inversion symmetry at interfaces or in non-centrosymmetric lattices. Significant interfacial DMI was found often at magnetic / heavy-metal interfaces with large spin-orbit coupling. Recent studies have shown promise of induced DMI at interfaces involving light elements such as carbon (graphene) or oxygen. Here we report direct observation of induced DMI by chemisorption of the lightest element, hydrogen, on a ferromagnetic layer at room temperature, which is supported by density functional theory calculations. We further demonstrate a reversible chirality transition of the magnetic domain walls due to the induced DMI via hydrogen chemisorption/desorption. These results shed new light on the understanding of DMI in low atomic number materials and design of novel chiral spintronics and magneto-ionic devices.

cond-mat.mtrl-sci↗

arXiv2021

Two-dimensional Dirac nodal-line semimetal protected by symmetry

Dirac nodal line semimetals (DNLSs) host relativistic quasiparticles in their one-dimensional (1D) Dirac nodal line (DNL) bands that are protected by certain crystalline symmetries. Their novel low-energy fermion quasiparticle excitations and transport properties invite studies of relativistic physics in the solid state where their linearly dispersing Dirac bands cross at continuous lines with four-fold degeneracy. In materials studied up to now, the four-fold degeneracy, however, has been vulnerable to suppression by the ubiquitous spin-orbit coupling (SOC). Despite the current effort to discover 3D DNLSs that are robust to SOC by theory, positive experimental evidence is yet to emerge. In 2D DNLSs, because of the decreased total density of states as compared with their 3D counterparts, it is anticipated that their physical properties would be dominated by the electronic states defined by the DNL. It has been even more challenging, however, to discover robust 2D DNLSs against SOC because of their lowered symmetry; no such materials have yet been predicted by theory. By combining molecular beam epitaxy growth, STM, nc-AFM characterisation, with DFT calculations and space group theory analysis, here we reveal a novel class of 2D crystalline DNLSs that host the exact symmetry that protects them against SOC. The discovered quantum material is a brick phase 3-AL Bi(110), whose symmetry protection and thermal stability are imparted by the compressive vdW epitaxial growth on black phosphorus substrates. The BP substrate templates the growth of 3-AL Bi(110) nano-islands in a non-symmorphic space group structure. This crystalline symmetry protects the DNL electronic phase against SOC independent of any orbital or elemental factors. We theoretically establish that this intrinsic symmetry imparts a general, robust protection of DNL in a series of isostructural 2D quantum materials.

cond-mat.mtrl-sci↗