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Dao-Xin Yao

Publications and source records attributed to Dao-Xin Yao.

At least 163 records · Page 9Linked to original sources

$n$-Hourglass Weyl fermions in nonsymmorphic materials

Hourglass-like band structures protected by nonsymmorphic space group symmetries can appear along high-symmetry lines or in high-symmetry surfaces in the Brillouin zone. In this work, from symmetry analysis, we demonstrate that $n$-hourglass-like band structures, a generalization of hourglass-like band structures, which host a number of Weyl points, are enforced along screw-invariant lines in non-magnetic materials with a single $N$-fold screw axis when spin-orbit coupling is finite, where $n$, a non-unity factor of $N$, denotes the degree of the screw-invariant line. The "standard" $n$-hourglass has $n-1$ crossings, which is minimal, and its variants can have more crossings. Purely by symmetry considerations, we find there are minimally two particle and two hole Fermi pockets enclosing Weyl points with opposite monopole charges at proper fillings, which can result in distinct physical effects including the possible formation of topological density waves and the quantum nonlinear Hall effect. We construct a minimal model which respects all the symmetries, and from which we see how the $n$-hourglasses appear when spin-orbit coupling is turned on. The same results are derived from compatibility relations. As exemplary, BiPd, ZnTe under high pressure, and the high-temperature phase of Tl$_3$PbBr$_5$, are shown from first-principles calculations to exhibit $n$-hourglass-like band structures, with $N=2,3,4$, respectively, which confirms our symmetry analysis and minimal model.

cond-mat.mes-hall↗

Gradual Enhancement of Stripe-Type Antiferromagnetism in Spin Ladder Material BaFe$_2$S$_3$ Under Pressure

We report pressure-dependent neutron diffraction and muon spin relaxation/rotation measurements combined with first-principles calculations to investigate the structural, magnetic, and electronic properties of BaFe$_2$S$_3$ under pressure. The experimental results reveal a gradual enhancement of the stripe-type ordering temperature with increasing pressure up to 2.6 GPa and no observable change in the size of the ordered moment. The ab initio calculations suggest that the magnetism is highly sensitive to the Fe-S bond lengths and angles, clarifying discrepancies with previously published results. In contrast to our experimental observations, the calculations predict a monotonic reduction of the ordered moment with pressure. We suggest that the robustness of the stripe-type antiferromagnetism is due to strong electron correlations not fully considered in the calculations.

cond-mat.supr-con↗

Anomalous quantum-critical scaling corrections in two-dimensional antiferromagnets

We study the Néel-paramagnetic quantum phase transition in two-dimensional dimerized $S=1/2$ Heisenberg antiferromagnets using finite-size scaling of quantum Monte Carlo data. We resolve the long standing issue of the role of cubic interactions arising in the bond-operator representation when the dimer pattern lacks a certain symmetry. We find non-monotonic (monotonic) size dependence in the staggered (columnar) dimerized model, where cubic interactions are (are not) present. We conclude that there is an irrelevant field in the staggered model that is not present in the columnar case, but, at variance with previous claims, it is not the leading irrelevant field. The new exponent is $ω_2 \approx 1.25$ and the prefactor of the correction $L^{-ω_2}$ is large and comes with a different sign from that of the formally leading conventional correction with exponent $ω_1 \approx 0.78$. Our study highlights the possibility of competing scaling corrections at quantum critical points.

cond-mat.str-el↗

Tunable room-temperature ferromagnetism in the SiC monolayer

It is essential to explore two-dimensional (2D) material with magnetic ordering in new generation spintronic devices. Particularly, the seeking of room-temperature 2D ferromagnetic (FM) materials is a hot topic of current research. Here, we study magnetism of the Mn-doped and electron-doped SiC monolayer using first-principle calculations. For the Mn-doped SiC monolayer, we find that either electron or hole could mediate the ferromagnetism in the system and the Curie temperature ($T_C$) can be improved by appropriate carrier doping. The codoping strategy is also discussed on improving $T_C$. The transition between antiferromagnetic and FM phase can be found by strain engineering. The $T_C$ is improved above room temperature (RT) under the strain larger than $0.06$. Moreover, the Mn-doped SiC monolayer develops half-metal at the strain range of $0.05-0.1$. On the other hand, the direct electron doping can induce ferromagnetism due to the van Hove singularity in density of states of the conduction band edge of the SiC monolayer. The $T_C$ is found to be around RT. These fascinating controllable electronic and magnetic properties are desired for spintronic applications.

cond-mat.mes-hall↗

Spontaneous surface current in multi-component cubic superconductors with time-reversal symmetry breaking

In this work we present a comprehensive study of the spontaneous currents in time-reversal symmetry breaking (TRSB) multi-component superconductors with cubic crystalline symmetry. We argue, not limiting to cubic lattices, that spontaneous current on certain high-symmetry surfaces can exist only if the TRSB pairing simultaneously breaks a certain pair of mirror symmetries. This is shown to have exact correspondence with the Gingzburg-Landau (GL) theory and is verified by numerical Bogoliubov de-Gennes (BdG) calculations. In the course we extend the BdG to include effects of gap anisotropy and surface disorder, both of which could lead to a much suppressed current. The GL theory has been known to describe well the spontaneous current. However, we highlight a special case where it becomes less adequate, and show that a refined effective theory for low temperatures is needed. These results could shed light on the phenomenology of cubic superconductors such as U$_{1-x}$Th$_x$Be$_{13}$, the filled skutterudites PrOs$_4$Sb$_{12}$, PrPt$_4$Ge$_{12}$ and related compounds.

cond-mat.supr-con↗

XXZ-Ising model on the triangular kagome lattice with spin-1 on the decorated trimers

We consider the triangular kagome XXZ-Ising model (TKL XXZ-Ising model) formed by inserting small triangles ("a-trimers") with XXZ spin-1 inside the triangles of the kagome lattice ("b-trimers"). It is a novel mixed spin system and can be solved exactly by transforming into the kagome lattice with the general transformation method for decorated spin systems. In the absence of an external field, we integrate out the quantum spins of the a-trimers and map the TKL model to the kagome Ising model exactly. We obtain the full phase diagram and their zero-temperature entropies (e.g. $s_{max}=5.48895$ per unit cell is given for the phase with the maximum entropy). When an external field is applied, 20 phases are found due to the quantum fluctuations of a-trimers. Moreover, the high spins in the a-trimers can lead to a stable quantized growth of the magnetization process in the Heisenberg limit.

cond-mat.stat-mech↗

Coexistence of spin-1 fermion and Dirac fermion on the triangular kagome lattice

Quasiparticle excitations beyond Dirac-Weyl-Majorana classification can appear in lattice systems due to the less symmetry constraint compared with Poincaré symmetry in high energy physics. In particular, fermions with an integer spin can appear in a variety of lattices. Here, we show that two-dimensional spin-1 fermion may coexist with Dirac fermions in the triangular kagome lattice (TKL). We derive a four-band effective model that hosts both types of fermions. The effective model can be used to study the interplay between spin-1 and spin-1/2 fermions. As an example, using this model we show that spin-nonconserving Klein tunneling can occur in the TKL, which has the transmission coefficient $T=1$ for normal incidence. Our findings pave a way to the study of the interaction and interplay between different types of fermions in lattice systems.

cond-mat.mes-hall↗

Universal scaling relationship between classical and quantum correlations in critical quantum spin chains

We numerically investigate classical and quantum correlations in one-dimensional quantum critical systems. The infinite matrix product state (iMPS) representation is employed in order to consider an infinite-size spin chain. By using the infinite time-evolving block decimation algorithm, iMPS ground state wave functions are obtained at critical points for the transverse-field spin-$1/2$ XY model. From the ground state wave functions, we calculate classical and quantum correlations and mutual information. All of the correlations are found to exhibit a power-law decay with the increments of the lattice distance for both the transition lines of the Ising universality class and the Gaussian universality class. Such power-law scaling behaviors of the correlations manifest the existence of diversing correlation lengths, which means scale invariance. The critical features of the correlations can be characterized by introducing a critical exponent of the power-law decaying correlations. Similar to the critical exponent $η$ of the spin-spin correlation for the universality classes in the transverse-field XY model, we calculate the critical exponents of the two-spin classical and quantum correlations as well as that of the corresponding mutual information. All of the correlations have the same critical exponents, i.e., $η^{I}=η^{C}=η^{D}$ at a critical point, where the superscripts $I$, $C$, and $D$ stand for mutual information, classical correlation, and quantum correlation, respectively. Furthermore, the critical exponent $η$ of the spin-spin correlation is shown to relate to $η= η^α/2$ with $α\in \{ I, C, D\}$.

cond-mat.str-el↗

Dynamical properties of the $S=\frac{1}{2}$ random Heisenberg chain

We use numerical techniques to study dynamical properties at finite temperature ($T$) of the Heisenberg spin chain with random exchange couplings, which realizes the random singlet (RS) fixed point in the low-energy limit. Specifically, we study the dynamic spin structure factor $S(q,ω)$, which can be probed directly by inelastic neutron scattering experiments and, in the limit of small $ω$, in nuclear magnetic resonance (NMR) experiments through the spin-lattice relaxation rate $1/T_1$. Our work combines three complementary methods: exact diagonalization, matrix-product-state algorithms, and stochastic analytic continuation of quantum Monte Carlo results in imaginary time. Unlike the uniform system, whose low-energy excitations at low $T$ are restricted to $q$ close to $0$ and $π$, our study reveals a continuous narrow band of low-energy excitations in $S(q,ω)$, extending throughout the Brillouin zone. Close to $q=π$, the scaling properties of these excitations are well captured by the RS theory, but we also see disagreements with some aspects of the predicted $q$-dependence further away from $q=π$. Furthermore we find spin diffusion effects close to $q=0$ that are not contained within the RS theory but give non-negligible contributions to the mean $1/T_1$. To compare with NMR experiments, we consider the distribution of the local $1/T_1$ values, which is broad, approximately described by a stretched exponential. The mean value first decreases with $T$, but starts to increase and diverge below a crossover temperature. Although a similar divergent behavior has been found for the static uniform susceptibility, this divergent behavior of $1/T_1$ has never been seen in experiments. Our results show that the divergence of the mean $1/T_1$ is due to rare events in the disordered chains and is concealed in experiments, where the typical $1/T_1$ value is accessed.

cond-mat.str-el↗

Spin Glass in the Bond-Diluted J1-J2 Ising Model on the Square Lattice

We use Monte Carlo (MC) methods to simulate a two-dimensional (2D) bond-diluted Ising model on the square lattice which has frustration between the nearest-neighbor interaction J1 and the next-nearest-neighbor interaction J2. In this paper, we use the parallel tempering algorithm to study the thermodynamics for different diluted ratio x and give the phase diagram. The presence of both frustration and disorder results in a spin-glass phase, which exists between the stripe antiferromagnetic phase and the Neel phase. We present the ground-state energy of T -> 0 and the size-dependence of Edwards-Anderson (EA) order parameter for the spin glass phase. By scaling the mean energy and the EA order parameter from the simulated annealing with the Kibble-Zurek (KZ) mechanism, we obtain two different dynamic exponents z_E and z_q for the spin glass phase. Experimentally, this model has close implication with the FeAs plane of the iron-based superconductor BaFe2(As(1-x)P(x))2, where a spin-glass like phase was found.

cond-mat.stat-mech↗

Interband interference effects at the edge of a multiband chiral p-wave superconductor

Chiral superconductors support chiral edge modes and potentially spontaneous edge currents at their boundaries. Motivated by the putative multiband chiral p-wave superconductor Sr$_2$RuO$_4$, we study the influence of the interference between different bands at the edges, which may appear in the presence of moderate edge disorder or in edge tunneling measurements. We show that interband interference can strongly modify the measurable quantities at the edges when the order parameter exhibits phase difference between the bands. This is illustrated by investigating the edge dispersion and the edge current distribution in the presence of interband mixing, as well as the conductance at a tunneling junction. The results are discussed in connection with the putative chiral p-wave superconductor Sr$_2$RuO$_4$. In passing, we also discuss similar interference effects in multiband models with other pairing symmetries.

cond-mat.supr-con↗

Magnon-phonon coupling effects on the indirect K-edge resonant inelastic X-ray scattering spectrum of a 2D Heisenberg antiferromagnet

We compute the effects of magnon-phonon coupling on the indirect K-edge bimagnon resonant inelastic x-ray scattering (RIXS) intensity spectrum of a square lattice Heisenberg antiferromagnet. We analyze the effects of competing nearest and next--nearest magnetic and magnon-phonon coupling interaction in the RIXS spectrum, for both the antiferromagnetic (AF) and the collinear antiferromagnetic (CAF) phases of the model. Utilizing the Dyson-Maleev representation of spin operators, the Bethe-Salpeter ladder approximation scheme for the bimagnon interacting channel, and considering the lowest order magnon-phonon-magnon scattering interaction we highlight distinct features in the X-ray spectrum. Considering damping effects, arising due to the presence of phonons, we find that in the AF phase the RIXS intensity spectrum attains a maximum value primarily localized around the K $\left(\pm\fracπ{2}, \pm \fracπ{2}\right)$ - point. For the CAF phase the intensity is broadly distributed with a significant scattering intensity located around the Y $\left(\pm\fracπ{2}, 0\right)$ - point. Furthermore, in the CAF phase for suitable anisotropy, nearest-, and next-nearest neighbor interaction parameters the phonon effects can manifest itself as a distinct peak both below and above the bimagnon peak. Such a feature is in contrast to the antiferromagnetic spectrum where the effect due to the phonon peak was located consistently beyond the bimagnon peak in the high energy end of the spectrum. Additionally, in the CAF phase we find the RIXS bimagnon-phonon spectrum to be more sensitive to anisotropy compared to its antiferromagnetic counterpart. We conclude that the ultimate effect of magnon-phonon effects in the indirect K-edge RIXS spectrum, in both the antiferromagnetic and the collinear antiferromagnetic phase, is an observable effect.

cond-mat.str-el↗

Universal short time quantum critical dynamics of finite size systems

We investigate the short time quantum critical dynamics in the imaginary time relaxation processes of finite size systems. Universal scaling behaviors exist in the imaginary time evolution and in particular, the system undergoes a critical initial slip stage characterized by an exponent $θ$, in which an initial power-law increase emerges in the imaginary time correlation function when the initial state has zero order parameter and vanishing correlation length. Under different initial conditions, the quantum critical point and critical exponents can be determined from the universal scaling behaviors. We apply the method to the one- and two-dimensional transverse field Ising models using quantum Monte Carlo simulations. In the one-dimensional case, we locate the quantum critical point at $(h/J)_{c}=1.00003(8)$ \thirdrevise{in the thermodynamic limit}, and estimate the critical initial slip exponent $θ=0.3734(2)$, static exponent $β/ν=0.1251(2)$ \thirdrevise{by analyzing data on chains of length $L=32\sim 256$ and $L=48\sim 256$, respectively}. For the two-dimensional square-lattice system, the critical coupling ratio is given by $3.04451(7)$ \thirdrevise{in the thermodynamic limit} while the critical exponents are \thirdrevise{$θ=0.209(4)$ and $β/ν=0.518(1)$ estimated by data on systems of size $L=24\sim 64$ and $L=32\sim 64$, correspondingly.} Remarkably, the critical initial slip exponents obtained in both models are notably distinct from their classical counterparts, owing to the essential differences between classical and quantum dynamics. The short time critical dynamics and the imaginary time relaxation QMC approach can be readily adapted to various models.

cond-mat.str-el↗

Critical Current Anomaly at the Topological Quantum Phase Transition in a Majorana Josephson Junction

Majorana bound states in topological Josephson junctions induce a 4? period current-phase relation. Direct detection of the 4? periodicity is complicated by the quasiparticle poisoning. We reveal that Majorana bound states are also signaled by the anomalous enhancement on the critical current of the junction. We show the landscape of the critical current for a nanowire Josephson junction under a varying Zeeman field, and reveal a sharp step feature at the topological quantum phase transition point, which comes from the anomalous enhancement of the critical current at the topological regime. In multi-band wires, the anomalous enhancement disappears for an even number of bands, where the Majorana bound states fuse into Andreev bound states. This anomalous critical current enhancement directly signals the existence of the Majorana bound states, and also provides a valid signature for the topological quantum phase transition.

cond-mat.supr-con↗

Indirect K-edge bimagnon resonant inelastic X-ray scattering spectrum of $α$-FeTe

We calculate the K-edge indirect bimagnon resonant inelastic X-ray scattering (RIXS) intensity spectra of the bicollinear antiferromagnetic order known to occur in the $α$-FeTe chalcogenide system. Utilizing linear spin wave theory for this large-S spin system we find that the bimagnon spectrum contains four scattering channels (two intraband and two interband). We find from our calculations that for suitable energy-momentum combination the RIXS spectra can exhibit a one-, two- or three- peak structure. The number of peaks provides a clue on the various bimagnon excitation processes that can be supported both in and within the acoustic and optical magnon branches of the bicollinear antiferromagnet. Unlike the RIXS response of the antiferromagnetic or the collinear antiferromagnetic spin ordering, the RIXS intensity spectrum of the bicollinear antiferromagnet does not vanish at the magnetic ordering wave vector $(π/2,-π/2)$. It is also sensitive to next-next nearest neighbor and biquadratic coupling interactions. Our predicted RIXS spectrum can be utilized to understand the role of multi-channel bimagnon spin excitations present in the $α$-FeTe chalcogenide.

cond-mat.mtrl-sci↗

Electronic Structure and Band Gap Engineering of Two-Dimensional Octagon-Nitrogene

We have predicted a new phase of nitrogen with octagon structure in our previous study, which we referred to as octa-nitrogene (ON). In this work, we make further investigation on its electronic structure. The phonon band structure has no imaginary phonon modes, which indicates that ON is dynamically stable. Using ab initio molecular dynamic simulations, the structure is found to stable up to 100K, and ripples that are similar to that of graphene is formed on the ON sheet. Based on DFT calculation on its band structure, single layer ON is a 2D large-gap semiconductor with a band gap of 4.7eV. Because of inter-layer interaction, stackings can decrease the band gap. Biaxial tensile strain and perpendicular electric field can greatly influence the band structure of ON, in which the gap decreases and eventually closes as the biaxial tensile strain or the perpendicular electric field increases. In other words, both biaxial tensile strain and perpendicular electric field can drive the insulator-to-metal transition, and thus can be used to engineer the band gap of ON. From our results, ON has potential applications in the electronics, semiconductors, optics and spintronics, and so on.

cond-mat.mtrl-sci↗

Modulation of pairing symmetry with bond disorder in unconventional superconductors

We study a two-orbital $t$-$J_1$-$J_2$ model, originally developed to describe iron-based superconductors at low energies, in the presence of bond disorder (via next-nearest-neighbor $J_2$-bond dilution). By using the Bogoliubov--de Gennes approach, we self-consistently calculate the local pairing amplitudes and the corresponding density of states, which demonstrate a change of dominant pairing symmetry from $s_\pm$ wave to $d$ wave when increasing disorder strength as long as $J_1\lesssim J_2$. Moreover, the combined pairing interaction and strong bond disorder lead to the formation of $s_\pm$ wave "islands" with length scale of the superconducting coherence length embedded in a $d$ wave "sea." This picture is further complemented by the disorder-averaged pair-pair correlation functions, distinct from the case with potential disorder, where the "sea" is insulating. Due to this inevitable formation of spatial inhomogeneity, the superconducting $T_c$ determined by the superfluid density $ρ_s(T)$ obviously deviates from the value predicted by the conventional Abrikosov-Gorkov theory, where the pairing amplitudes are viewed as uniformly suppressed as the disorder increases.

cond-mat.supr-con↗

Properties of the random-singlet phase: from the disordered Heisenberg chain to an amorphous valence-bond solid

We use a strong-disorder renormalization group (SDRG) method and ground-state quantum Monte Carlo (QMC) simulations to study S=1/2 spin chains with random couplings, calculating disorder-averaged spin and dimer correlations. The QMC simulations demonstrate logarithmic corrections to the power-law decaying correlations obtained with the SDRG scheme. The same asymptotic forms apply both for systems with standard Heisenberg exchange and for certain multi-spin couplings leading to spontaneous dimerization in the clean system. We show that the logarithmic corrections arise in the valence-bond (singlet pair) basis from a contribution that can not be generated by the SDRG scheme. In the model with multi-spin couplings, where the clean system dimerizes spontaneously, random singlets form between spinons localized at domain walls in the presence of disorder. This amorphous valence-bond solid is asymptotically a random-singlet state and only differs from the random-exchange Heisenberg chain in its short-distance properties.

cond-mat.str-el↗