arXiv subjects

Xi Dai

Publications and source records attributed to Xi Dai.

At least 55 records · Page 3Linked to original sources

arXiv2023

Strong and Fragile Topological Dirac Semimetals with Higher-Order Fermi Arcs

Dirac and Weyl semimetals both exhibit arc-like surface states. However, whereas the surface Fermi arcs in Weyl semimetals are topological consequences of the Weyl points themselves, the surface Fermi arcs in Dirac semimetals are not directly related to the bulk Dirac points, raising the question of whether there exists a topological bulk-boundary correspondence for Dirac semimetals. In this work, we discover that strong and fragile topological Dirac semimetals exhibit 1D higher-order hinge Fermi arcs (HOFAs) as universal, direct consequences of their bulk 3D Dirac points. To predict HOFAs coexisting with topological surface states in solid-state Dirac semimetals, we introduce and layer a spinful model of an $s-d$-hybridized quadrupole insulator (QI). We develop a rigorous nested Jackiw-Rebbi formulation of QIs and HOFA states. Employing $ab\ initio$ calculations, we demonstrate HOFAs in both the room- ($α$) and intermediate-temperature ($α''$) phases of Cd$_{3}$As$_2$, KMgBi, and rutile-structure ($β'$-) PtO$_2$.

cond-mat.mes-hall↗

arXiv2023

Zeeman field-induced two-dimensional Weyl semimetal phase in cadmium arsenide

We report a topological phase transition in quantum-confined cadmium arsenide (Cd3As2) thin films under an in-plane Zeeman field when the Fermi level is tuned into the topological gap via an electric field. Symmetry considerations in this case predict the appearance of a two-dimensional Weyl semimetal (2D WSM), with a pair of Weyl nodes of opposite chirality at charge neutrality that are protected by space-time inversion (C2T) symmetry. We show that the 2D WSM phase displays unique transport signatures, including saturated resistivities on the order of h/e^2 that persist over a range of in-plane magnetic fields. Moreover, applying a small out-of-plane magnetic field, while keeping the in-plane field within the stability range of the 2D WSM phase, gives rise to a well-developed odd integer quantum Hall effect, characteristic of degenerate, massive Weyl fermions. A minimal four-band k.p model of Cd3As2, which incorporates first-principles effective g factors, qualitatively explains our findings.

cond-mat.mes-hall↗

arXiv2023

Electrical Breakdown of Excitonic Insulator

In this paper, we propose a new electrical breakdown mechanism for exciton insulators in the BCS limit, which differs fundamentally from the Zener breakdown mechanism observed in traditional band insulators. Our new mechanism results from the instability of the many-body ground state for exciton condensation, caused by the strong competition between the polarization and condensation energies in the presence of an electric field. We refer to this mechanism as ``many-body breakdown''. To investigate this new mechanism, we propose a BCS-type trial wave function under finite electric fields and use it to study the many-body breakdown numerically. Our results reveal two different types of electric breakdown behavior. If the system size is larger than a critical value, the Zener tunneling process is first turned on when an electrical field is applied, but the excitonic gap remains until the field strength reaches the critical value of the many-body breakdown, after which the excitonic gap disappears and the system becomes a highly conductive metallic state. However, if the system size is much smaller than the critical value, the intermediate tunneling phase disappears since the many-body breakdown happens before the onset of Zener tunneling. The sudden disappearance of the local gap leads to an ``off-on'' feature in the current-voltage ($I-V$) curve, providing a straightforward way to distinguish excitonic insulators from normal insulators.

cond-mat.mes-hall↗

arXiv2023

Spin-Triplet Topological Excitonic Insulators in Two-dimensional Materials

Quantum spin-hall insulator (QSHI) processes nontrivial topology. We notice that the electronic structures of some particular QSHIs are favorable for realization of excitonic insulators (EIs). Using first-principles many-body perturbation theory ($GW$+BSE) and $k \cdot p$ model, we show that high-temperature ($T$) topological EIs with unlike spin can exist in such QSHIs with non-vanishing band gaps, e.g. 2D AsO and $\text{Mo}_2\text{Ti}\text{C}_2\text{O}_2$. Spin-triplet type EI phase induced by strong electron-hole interaction preserves time-reversal symmetry and the topological characteristics. A novel optical selection rule exists, upon going through the phase transition from the normal QSHIs to the topological EIs, absorption spectroscopy shows pronounced $T$-dependent changes, providing guidance for future experimental detections. The demonstrated coupling between EIs and topology also means that rich physics exists in such materials which retain such interdisciplinary features.

cond-mat.mtrl-sci↗

arXiv2023

Truncated atomic plane wave method for the subband structure calculations of Moiré systems

We propose a highly efficient and accurate numerical scheme named Truncated Atomic Plane Wave (TAPW) method to determine the subband structure of Twisted Bilayer Graphene (TBG) inspired by BM model. Our method utilizes real space information of carbon atoms in the moiré unit cell and projects the full tight binding Hamiltonian into a much smaller subspace using atomic plane waves. We present accurate electronic band structures of TBG in a wide range of twist angles together with detailed moiré potential and screened Coulomb interaction at the first magic angle using our new method. Furthermore, we generalize our formalism to solve the problem of low frequency moiré phonons in TBG.

cond-mat.mes-hall↗

arXiv2023

Unconventional ferroelectricity in half-filling states of antiparallel stacking of twisted WSe2

Abstract: We report on emergence of an abnormal electronic polarization in twisted double bilayer WSe2 in antiparallel interface stacking geometry, where local centrosymmetry of atomic registries at the twist interface does not favor the spontaneous electronic polarizations as recently observed in the parallel interface stacking geometry. The unconventional ferroelectric behaviors probed by electronic transport measurement occur at half filling insulating states at 1.5 K and gradually disappear at about 40 K. Single band Hubbard model based on the triangular moiré lattice and the interlayer charge transfer controlled by insulating phase transition are proposed to interpret the formation of electronic polarization states near half filling in twisted WSe2 devices. Our work highlights the prominent role of many-body electronic interaction in fostering novel quantum states in moiré-structured systems.

cond-mat.mes-hall↗

arXiv2022

Heavy fermion representation for twisted bilayer graphene systems

We construct a heavy fermion representation for twisted bilayer graphene (TBG) systems. Two local orbitals (per spin/valley) are analytically found, which are exactly the maximally localized zero modes of the continuum Hamiltonian near the AA-stacking center. They have similar properties to the Wannier functions in [arXiv:2111.05865v2], but also have a clear interpretation as the zeroth pseudo Landau levels (ZLL) of Dirac fermions under the uniform strain field created by twisting [arXiv:1810.03103v3]. The electronic states of TBG can be viewed as the hybridization between these ZLL orbitals and other itinerant states which can be obtained following the standard procedure of orthogonalized plane wave method. The "heavy fermion" model for TBG separates the strongly correlated components from the itinerant components and provides a solid base for the comprehensive understanding of the exotic physics in TBG.

cond-mat.str-el↗

arXiv2022

Interaction Driven Topological Phase Transition in Monolayer CrCl$_2$(pyrazine)$_2$

The quadratic band crossing points (QBCPs) at Fermi level in two-dimension have been proposed to be unstable under electron-electron interaction. The possible interaction driven states include quantum anomalous Hall (QAH) state and various nematic ordered states. In this work, motivated by the discovery of ferromagnetic van der Waals layered metal-organic framework CrCl$_2$(pyrazine)$_2$, we theoretically propose that the single layer of CrCl$_2$(pyrazine)$_2$ might realize one or some of these interaction driven states based on the QBCP protected by $C_4$ symmetry. By introducing the short-range density-density type repulsion interactions into this system, we have found the phase diagram depending on different interaction range and strength. The exotic phases include the staggered chiral flux state manifesting QAH effect, the site-nematic insulator and the site-nematic Dirac semimetal state. The QAH state is robust against perturbations breaking the QBCP but it is weakened by increasing temperature. The metal-organic framework is tunable by changing the transition-metal elements, which might improve the gap size and stability of this interaction induced QAH state.

cond-mat.mtrl-sci↗

arXiv2022

Topological States in Chevrel Phase Materials from First-principle Calculations

Chevrel phase materials form a family of ternary molybdenum chalcogenides with a general chemical formula $A_x{\rm Mo}_6X_8$ ($A$ = metal elements, $X$ = chalcogen). The variety of $A$ atoms makes a large number of family members and leads to many tunable physical properties, such as the superconductivity, thermoelectricity and the ionic conductivity. In this work, we have further found various nontrivial band topological states in these materials by using first-principle calculations. The compounds having time-reversal symmetry, such as ${\rm BaMo}_6{\rm S}_8$, ${\rm SrMo}_6{\rm S}_8$, and ${\rm Mo}_6{\rm S}_8$, are topological insulators in both of the $R\bar{3}$ and $P\bar{1}$ phases, whereas ${\rm EuMo}_6{\rm S}_8$ within ferromagnetic state, it is an axion insulator in the $R\bar{3}$ phase and a trivial one in the $P\bar{1}$ phase. This indicates that the change of $A$ ions can modify the chemical potential, lattice distortion, and magnetic orders, which offers a unique way to influence the topological states and other properties. We hope this work can stimulate further studies of Chevrel phase materials to find more intriguing phenomena, such as topological superconducting states and Majorana modes.

cond-mat.mtrl-sci↗

arXiv2022

On The Low Speed Limits of Lorentz's Transformation

This article contains a digest of the theory of electromagnetism and a review of the transformation between inertial frames, especially under low speed limits. The covariant nature of the Maxwell's equations is explained using the conventional language. We show that even under low speed limits, the relativistic effects should not be neglected to get a self-consistent theory of the electromagnetic fields, unless the intrinsic dynamics of these fields has been omitted completely. The quasi-static limits, where the relativistic effects can be partly neglected are also reviewed, to clarify some common misunderstandings and imprecise use of the theory in presence of moving media and other related situations. The discussion presented in this paper provide a clear view of why classical electromagnetic theory is relativistic in its essence.

physics.class-ph↗

arXiv2022

New Type of Quantum Oscillations Stemmed From the Strong Weyl Fermions - 4f Electrons Exchange Interaction

The interplay between magnetism and the topology of electronic band structure may generate new exotic quantum states. Here we report on a new type of quantum oscillations in the temperature dependent electrical resistivity and specific heat at a constant magnetic field in a polar magnetic Weyl semimetal (WSM) NdAlSi. These novel quantum phenomena arise from the destructive interference between quantum oscillations from the spin-split Fermi surfaces due to the strong Weyl fermions-4f electrons exchange interaction combined with Rashba-Dresselhaus (RD) and Zeeman effects. Our findings pave a way to explore unprecedented quantum phenomena in 4f-electron based magnetic semimetals.

cond-mat.mtrl-sci↗

arXiv2022

Transverse Peierls Transition

In the present paper, we have discussed a new type of spontaneous symmetry breaking phases caused by the softening of the transverse acoustic phonon modes through the electron phonon coupling. These new phases include the shear density wave and self-twisting wave, which are caused by the softening of linearly and circularly polarized acoustic phonon modes, respectively. We propose that two of the topological semimetal systems in the quantum limit, where the electrons only occupy the lowest Landau bands under external magnetic field, will be the perfect systems to realize these new phases. Exotic physical effects will be induced in these new phases, including the 3D quantum Hall effect, chiral standing acoustic wave, magneto-acoustic effects and chiral phonon correction to Einstein-de Hass effect.

cond-mat.mes-hall↗

arXiv2022

Customized quantum annealing schedules

In a typical quantum annealing protocol, the system starts with a transverse field Hamiltonian which is gradually turned off and replaced by a longitudinal Ising Hamiltonian. The ground state of the Ising Hamiltonian encodes the solution to the computational problem of interest, and the state overlap with this ground state gives the success probability of the annealing protocol. The form of the annealing schedule can have a significant impact on the ground state overlap at the end of the anneal, so precise control over these annealing schedules can be a powerful tool for increasing success probabilities of annealing protocols. Here we show how superconducting circuits, in particular capacitively shunted flux qubits (CSFQs), can be used to construct quantum annealing systems by providing tools for mapping circuit flux biases to Pauli coefficients. We use this mapping to find customized annealing schedules: appropriate circuit control biases that yield a desired annealing schedule, while accounting for the physical limitations of the circuitry. We then provide examples and proposals that utilize this capability to improve quantum annealing performance.

quant-ph↗

arXiv2022

Quantized and half-quantized Anomalous Hall effect induced by in-plane magnetic field

In this paper we propose that, quantized and nearly half-quantized intrinsic anomalous Hall effect can be induced by in-plane external magnetic field through the Zeeman coupling in non-magnetic 2D systems with sizeable spin-orbital coupling but without two-fold rotational symmetry. An analytical result is derived for 2D electron gas model with $C_{3v}$ symmetry. Based on the $\boldsymbol{k\cdot p}$ Hamiltonian derived from first principle calculations, we find that quantized and nearly half-quantized conductance can be observed in $\mathrm{Sb_2Te_3}$ thin film in the clean limit with strong in-plane magnetic field $B>20\ \mathrm{T}$ and low temperature $T<100\ \mathrm{mK}$.

cond-mat.mes-hall↗

arXiv2022

Strain-tuned topological phase transition and unconventional Zeeman effect in ZrTe5 microcrystals

The geometric phase (Berry phase) of an electronic wave function is the fundamental basis of the topological properties in solids. Modulating band structure provides a tuning knob for the Berry phase, and in the extreme case drives a topological phase transition. Despite the significant developments in topological materials study, it remains a challenge to tune between different topological phases while tracing the impact of the Berry phase on quantum charge transport, in the same material. Here we report both in a magnetotransport study of ZrTe5. By tuning the band structure with uniaxial strain, we directly map a weak- to strong- topological phase transition through a gapless Dirac semimetal phase via quantum oscillations. Moreover, we demonstrate the impact of the strain-tunable spin-dependent Berry phase on the Zeeman effect through the amplitude of the quantum oscillations. We show that such a spin-dependent Berry phase, largely neglected in solid-state systems, is critical in modeling quantum oscillations in Dirac bands in topological materials.

cond-mat.mtrl-sci↗

arXiv2021

RTGW2020: A powerful implementation of DFT + Gutzwiller method

In the present paper, we propose an efficient numerical scheme for Gutzwiller method for multi-band Hubbard models with general onsite Coulomb interaction. Following the basic idea of Deng et al. [Phys. Rev. B 79, 075114 (2009)] and extensions by Lanata et al. [Phys. Rev. B 85, 035133 (2012)], the ground state is variationally determined through optimizing the total energy with respect to the variational single particle density matrix (n0), which is called "outer loop". In the corresponding "inner loop" where n0 is fixed, the non-interacting wave function and the parameters contained in the Gutzwiller projector are determined by a two-step iterative approach. All derivatives of the implementation process have been analytically derived, which allows us to apply some advanced minimization or root-searching algorithms for both the inner and outer loops leading to the highly efficient convergence. In addition, an atomic diagonalization method taking the point group symmetry into account has been developed for the customized design of the Gutzwiller projector, making it convenient to explore many interesting orders at a lower cost of computation. As benchmarks, several different types of correlated models have been studied utilizing the proposed method, which are in perfect agreement with the previous results by DMFT and multi-orbital slave-boson mean field method. Compared with the linear mixing method, the newton method with analytical derivatives shows much faster convergence for the inner loop. As for the outer loop, the minimization using analytical derivatives also shows much better stability and efficiency compared with that using numerical derivatives.

cond-mat.str-el↗

arXiv2021

Spin polarized nematic order, quantum valley Hall states, and field tunable topological transitions in twisted multilayer graphene systems

We theoretically study the correlated insulator states, quantum anomalous Hall (QAH) states, and field-induced topological transitions between different correlated states in twisted multilayer graphene systems. Taking twisted bilayer-monolayer graphene and twisted double-bilayer graphene as examples, we show that both systems stay in spin polarized, $C_{3z}$-broken insulator states with zero Chern number at 1/2 filling of the flat bands under finite displacement fields. In some cases these spin polarized, nematic insulator states are in the quantum valley Hall phase by virtue of the nontrivial band topology of the systems. The spin polarized insulator state is quasi-degenerate with the valley polarized state if only the dominant intra-valley Coulomb interaction is included. Such quasi-degeneracy can be split by atomic on-site interactions such that the spin polarized, nematic state become the unique ground state. Such a scenario applies to various twisted multilayer graphene systems at 1/2 filling, thus can be considered as a universal mechanism. Moreover, under vertical magnetic fields, the orbital Zeeman splittings and the field-induced change of charge density in twisted multilayer graphene systems would compete with the atomic Hubbard interactions, which can drive transitions from spin polarized zero-Chern-number states to valley-polarized QAH states with small onset magnetic fields.

cond-mat.mes-hall↗

arXiv2021

Demonstration of long-range correlations via susceptibility measurements in a one-dimensional superconducting Josephson spin chain

Spin chains have long been considered an effective medium for long-range interactions, entanglement generation, and quantum state transfer. In this work, we explore the properties of a spin chain implemented with superconducting flux circuits, designed to act as a connectivity medium between two superconducting qubits. The susceptibility of the chain is probed and shown to support long-range, cross chain correlations. In addition, interactions between the two end qubits, mediated by the coupler chain, are demonstrated. This work has direct applicability in near term quantum annealing processors as a means of generating long-range, coherent coupling between qubits.

quant-ph↗