Over the past century,ferroelectricity has offered exciting opportunities for fundamental research and device ***,most of the discovered excellent ferroelectrics are oxide materials with large band gaps,limiting their...
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Over the past century,ferroelectricity has offered exciting opportunities for fundamental research and device ***,most of the discovered excellent ferroelectrics are oxide materials with large band gaps,limiting their potential for optoelectronics *** using first-principles calculations we identify a new narrow-gap ferroelectric beyond oxides,i.e.,ferroelectric perovskite sulphide BaZrS_(3).Under large compressive strains,BaZrS_(3)can be stabilized into a unique supertetragonal phase with an extraordinary polarization of 67.16μC/cm^(2),which is even stronger than that of conventional oxide ***,the supertetragonal BaZrS_(3)exhibits a direct narrow band gap of 1.2 eV and excellent electronic *** on the chemical bonding analysis,we attribute the formation of supertetragonal phase to charge re-ordering in which theπbond overlap along the long〈Zr-S〉bond completely vanishes and the antibonding states of theσbond appear below the Fermi *** work provides a conceptual strategy for designing new ferroelectrics for electronic and photovoltaic applications.
We study the dynamical quantum phase transitions(DQPTs)in the XY chains with the Dzyaloshinskii-Moriya interaction and the XZY-YZX type of three-site interaction after a sudden *** the models can be mapped to the spin...
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We study the dynamical quantum phase transitions(DQPTs)in the XY chains with the Dzyaloshinskii-Moriya interaction and the XZY-YZX type of three-site interaction after a sudden *** the models can be mapped to the spinless free fermion models by the Jordan-Wigner and Bogoliubov transformations with the form■where the quasiparticle excitation spectraεkmay be smaller than 0 for some k and are asymmetrical■It is found that the factors of Loschmidt echo equal 1 for some k corresponding to the quasiparticle excitation spectra of the pre-quench Hamiltonian satisfyingε_(k)·ε_(-k)<0,when the quench is from the gapless *** considering the quench from different ground states,we obtain the conditions for the occurrence of DQPTs for the general XY chains with gapless phase,and find that the DQPTs may not occur in the quench across the quantum phase transitions regardless of whether the quench is from the gapless phase to gapped phase or from the gapped phase to gapless *** is different from the DQPTs in the case of quench from the gapped phase to gapped phase,in which the DQPTs will always ***,we analyze the different reasons for the absence of DQPTs in the quench from the gapless phase and the gapped *** conclusion can also be extended to the general quantum spin chains.
Within the framework of perturbative QCD factorization,we investigate the nonfactorizable contributions to the factorization-forbidden quasi-two-body decays B_((s))→h_((χ)_(c0))→hπ^(+)π^(-)(K^(+)K^(-))with h=π,*...
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Within the framework of perturbative QCD factorization,we investigate the nonfactorizable contributions to the factorization-forbidden quasi-two-body decays B_((s))→h_((χ)_(c0))→hπ^(+)π^(-)(K^(+)K^(-))with h=π,*** compare our predicted branching ratios for the B_(()(s))→K_(χc0)→Kπ^(+)π-(K^(+)K^(-))decay with available experiment data as well as predictions by other theoretical *** branching ratios of these decays are consistent with data and other theoretical ***,in the Cabibbo-suppressed decays B_((s))→h_((χ)_(c0))→hπ^(+)π^(-)(K^(+)K^(-))with h=K^(0),π,the values of the branching ratios are of the order of 10^(-7)and 10^(-8).The ratio R_((χ)_(c0))between the decays B^(+)→π^(+)χ_(c0)→π^(+)π^(+)π^(-)and B^(+)→K^(+)χc0→K^(+)π^(+)π^(-)and the distribution of branching ratios for different decay modes in invariant mass are considered in this study.
The realization of reversible thermal conductivity through ferromagnetic ordering can improve the heat management and energy efficiency in magnetic materials-based ***_(3),as a new layered ferromagnetic semiconductor,...
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The realization of reversible thermal conductivity through ferromagnetic ordering can improve the heat management and energy efficiency in magnetic materials-based ***_(3),as a new layered ferromagnetic semiconductor,exhibits a structural phase transition from monoclinic(C2/m)to rhombohedral(R3^(-))phase as temperature decreases,making it a suitable platform to investigate thermal switching in magnetic phase transition *** work reveals that the thermal switching ratio of VI_(3)can reach 3.9 along the *** properties analysis indicates that the C2/m structure is stiffer than the R^(-)one,causing the larger phonon velocity in C2/m ***,due to the fewer phonon branches in C2/m phase,the number of phonon–phonon scattering channels in C2/m phase is smaller compared to that of R^(-)*** the larger phonon velocity and the longer phonon lifetime lead to larger lattice thermal conductivity in C2/m *** study uncovers the mechanical and thermal properties of VI_(3),which provides useful guides for designing magnetic materials-based devices such as thermal switch.
Phonon bandgap typically has a significant effect on phonon-phonon scattering *** this work,the effects of mass modified phonon bandgap inθ-phase Ta N are systemically investigated by the means of first-principles ca...
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Phonon bandgap typically has a significant effect on phonon-phonon scattering *** this work,the effects of mass modified phonon bandgap inθ-phase Ta N are systemically investigated by the means of first-principles calculations with linearized Boltzmann transport *** detailed calculations,we find that phonon bandgap has a significant effect on three-phonon process while exhibits a much weaker effect on four-phonon *** reason for the ultrahigh thermal conductivity ofθ-phase Ta N is the long lifetime of phonons including both three-phonon and four-phonon processes,which originates from the weak phonon anharmonicity and large phonon bandgap-induced small phonon-phonon scattering phase *** work advances the understanding of phonon bandgap effects on phonon transport.
In this paper,we present a quadratic auxiliary variable approach to develop a new class of energy-preserving Runge-Kutta methods for the Korteweg-de Vries *** quadratic auxiliary variable approach is first proposed to...
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In this paper,we present a quadratic auxiliary variable approach to develop a new class of energy-preserving Runge-Kutta methods for the Korteweg-de Vries *** quadratic auxiliary variable approach is first proposed to reformulate the original model into an equivalent system,which transforms the energy conservation law of the Korteweg-de Vries equation into two quadratic invariants of the reformulated *** the symplectic Runge-Kutta methods are directly employed for the reformulated model to arrive at a new kind of time semi-discrete schemes for the original *** consistent initial conditions,the proposed methods are rigorously proved to maintain the original energy conservation law of the Korteweg-de Vries *** addition,the Fourier pseudo-spectral method is used for spatial discretization,resulting in fully discrete energy-preserving *** implement the proposed methods effectively,we present a very efficient iterative technique,which not only greatly saves the calculation cost,but also achieves the purpose of practically preserving *** numerical results are addressed to confirm the expected order of accuracy,conservative property and efficiency of the proposed algorithms.
Developing electrocatalysts that exhibit both high activity and ammonia selectivity for nitrate reduction is a significant and demanding challenge,primarily due to the complex nature of the multiple-electron reduction...
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Developing electrocatalysts that exhibit both high activity and ammonia selectivity for nitrate reduction is a significant and demanding challenge,primarily due to the complex nature of the multiple-electron reduction process *** encouraging approach involves coupling highly active precious metals with transition metals to enhance catalytic performance through ***,we report a ruthenium-nickel alloy catalyst with nanosheets(Ru-Ni NSs)structure that achieves a remarkable ammonia Faradaic efficiency of approximately 95.93%,alongside a yield rate of up to 6.11 g·h^(−1)·cm^(−2).Moreover,the prepared Ru-Ni NSs exhibit exceptional stability during continuous nitrate reduction in a flow reactor for 100 h,maintaining a Faradaic efficiency of approximately 90%and an ammonia yield of 37.4 mg·L^(−1)·h^(−1)using 0.05 M nitrate alkaline *** studies reveal that the catalytic process follows a two-step pathway,in which HONO serves as a migration *** presence of a partially oxidized Ru(002)surface enhances the adsorption of nitrate and facilitates the release of the migration intermediate by adjusting the strength of the electrostatic and covalent interactions between the adsorbate and the surface,*** the other hand,the Ni(111)surface promotes the utilization of the migration intermediate and requires less energy for NH_(3)*** tandem process contributes to a high catalytic activity of Ru-Ni NSs towards nitrate reduction.
Submodular function maximization problem has been extensively studied recently.A natural variant of submodular function is k-submodular function,which has many applications in real life,such as influence maximization ...
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Submodular function maximization problem has been extensively studied recently.A natural variant of submodular function is k-submodular function,which has many applications in real life,such as influence maximization and sensor placement *** domain of a k-submodular function has k disjoint subsets,and hence includes submodular function as a special case when k=*** work investigates the k-submodular function maximization problem with d-knapsack constraints over the sliding *** on the smooth histogram technique,we design a deterministic approximation ***,we propose a randomized algorithm to improve the approximation ratio.
Generally,the interaction between the East Asian subtropical westerly jet(EASWJ)and the East Asian summer monsoon(EASM)is regarded as a critical dynamic factor in the evolution of precipitation patterns in *** simulat...
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Generally,the interaction between the East Asian subtropical westerly jet(EASWJ)and the East Asian summer monsoon(EASM)is regarded as a critical dynamic factor in the evolution of precipitation patterns in *** simulation results from the transient climate evolution since the last glacial maximum,this study applies the multivariate empirical orthogonal function(MVEOF)analysis method to investigate the co-evolution relationships of the EASWJ and the EASM during the early,middle,and late Holocene,as well as their influence on precipitation patterns in *** results indicate that all the first MVEOF modes in different time periods of the Holocene display an out-of-phase relationship in the intensity anomaly between the EASWJ and the ***,the jet stream is wider and more tilted in the late *** the influence of secondary circulations formed during their co-evolution,a north-south dipolar precipitation pattern in eastern China(“flood in the south and drought in the north”or“drought in the south and flood in the north”)and an east-west dipolar pattern in northern China(“wet in the west and dry in the east”or“wet in the east and dry in the west”)are found in the early and middle Holocene,while in the late Holocene a regionally-consistent precipitation pattern is witnessed across the whole *** this mode,the precipitation in the middle and late Holocene is primarily dominated by trend *** second MVEOF mode reveals that the EASM weakens when the EASWJ shifts eastward and the jet steam axis shortens during the early Holocene,resulting in a north-south dipolar precipitation pattern in eastern China and a regionally-consistent pattern in northern *** the middle Holocene,dipolar precipitation patterns are also observed in both eastern China and northern China when the EASWJ moves northward and the EASM strengthens,while the moisture condition in North China is less pronounced,and vice *** the late Holocene,the intensity anomali
In this paper,we present a quadratic auxiliary variable(QAV)technique to develop a novel class of arbitrarily high-order energy-preserving algorithms for the Camassa-Holm *** QAV approach is first utilized to transfor...
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In this paper,we present a quadratic auxiliary variable(QAV)technique to develop a novel class of arbitrarily high-order energy-preserving algorithms for the Camassa-Holm *** QAV approach is first utilized to transform the original equation into a reformulated QAV system with a consistent initial *** the reformulated QAV system is discretized by applying the Fourier pseudo-spectral method in space and the symplectic Runge-Kutta methods in time,which arrives at a class of fully discrete *** the consistent initial condition,they can be rewritten as a new fully discrete system by eliminating the introduced auxiliary variable,which is rigorously proved to be energy-preserving and *** numerical experiments are conducted to confirm the expected order of accuracy,conservative property and efficiency of the proposed *** presented numerical strategy makes it possible to directly apply a special class of Runge-Kutta methods to develop energy-preserving algorithms for a general conservative system with any polynomial energy.
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