arXiv subjects

Xi Dai

Publications and source records attributed to Xi Dai.

At least 73 records · Page 4Linked to original sources

arXiv2021

Realization of graphene logics in an exciton-enhanced insulating phase

For two decades, two-dimensional carbon species, including graphene, have been the core of research in pursuing next-generation logic applications beyond the silicon technology. Yet the opening of a gap in a controllable range of doping, whilst keeping high conductance outside of this gapped state, has remained a grand challenge in them thus far. Here we show that, by bringing Bernal-stacked bilayer graphene in contact with an anti-ferromagnetic insulator CrOCl, a strong insulating behavior is observed in a wide range of positive total electron doping $n_\mathrm{tot}$ and effective displacement field $D_\mathrm{eff}$ at low temperatures. Transport measurements further prove that such an insulating phase can be well described by the picture of an inter-layer excitonic state in bilayer graphene owing to electron-hole interactions. The consequential over 1 $\mathrm{GΩ}$ excitonic insulator can be readily killed by tuning $D_\mathrm{eff}$ and/or $n_\mathrm{tot}$, and the system recovers to a high mobility graphene with a sheet resistance of less than 100 $\mathrmΩ$. It thus yields transistors with "ON-OFF" ratios reaching 10$^{7}$, and a CMOS-like graphene logic inverter is demonstrated. Our findings of the robust insulating phase in bilayer graphene may be a leap forward to fertilize the future carbon computing.

cond-mat.mes-hall↗

arXiv2021

An $O(N)$ $Ab~initio$ Calculation Scheme for Large-Scale Moiré Structures

We present a two-step method specifically tailored for band structure calculation of the small-angle moiré-pattern materials which contain tens of thousands of atoms in a unit cell. In the first step, the self-consistent field calculation for ground state is performed with $O(N)$ Krylov subspace method implemented in OpenMX. Secondly, the crystal momentum dependent Bloch Hamiltonian and overlap matrix are constructed from the results obtained in the first step and only a small number of eigenvalues near the Fermi energy are solved with shift-invert and Lanczos techniques. By systematically tuning two key parameters, the cutoff radius for electron hopping interaction and the dimension of Krylov subspace, we obtained the band structures for both rigid and corrugated twisted bilayer graphene structures at the first magic angle ($θ=1.08^\circ$) and other three larger ones with satisfied accuracy on affordable costs. The band structures are in good agreement with those from tight binding models, continuum models, plane-wave pseudo-potential based $ab~initio$ calculations, and the experimental observations. This efficient two-step method is to play a crucial role in other twisted two-dimensional materials, where the band structures are much more complex than graphene and the effective model is hard to be constructed.

cond-mat.mes-hall↗

arXiv2021

Theories for the correlated insulating states and quantum anomalous Hall phenomena in twisted bilayer graphene

The experimentally observed correlated insulating states and quantum anomalous Hall (QAH) effect in twisted bilayer graphene (TBG) have drawn significant attention. However, up to date, the specific mechanisms of these intriguing phenomena are still open questions. Using a fully unrestricted Hartree-Fock variational method, we have explained the correlated insulating states and QAH effects at various integer fillings of the flat bands in TBG. Our results indicate that states breaking flavor (valley and spin) symmetries are energetically favored at all integer fillings. In particular, the correlated insulating states at $\pm 1/2$ filling and at the charge neutrality point are all valley polarized sates which break $C_{2z}$ and time-reversal ($\mathcal{T}$) symmetries, but preserves $C_{2z}\mathcal{T}$ symmetry. Such valley polarized states exhibit "moiré orbital antiferromagnetic ordering" on an emergent honeycomb lattice with compensating circulating current pattern in the moiré supercell. Within the same theoretical framework, our calculations indicate that the $C\!=\!\mp 1$ QAH states at $\pm 3/4$ fillings of the magic-angle TBG are spin and orbital ferromagnetic states, which emerge when a staggered sublattice potential is present. We find that the nonlocalness of the exchange interactions tend to enhance the bandwidth of the low-energy bands due to the exchange-hole effect, which reduces the gaps of the correlated insulator phases. The nonlocal exchange interactions also dramatically enhance the spin polarization of the system, which significantly stabilize the orbital and spin ferromagnetic QAH state at $3/4$ filling of TBG aligned with hexagonal boron nitride (hBN). We also predict that, by virtue of the orbital ferromagnetic nature, the QAH effects at electron and hole fillings of hBN-aligned TBG would exhibit hysteresis loops with opposite chiralities.

cond-mat.str-el↗

arXiv2020

Spontaneous Formation of a Superconductor-Topological Insulator-Normal Metal Layered Heterostructure

The discovery of graphene has spurred vigorous investigation of 2D materials, revealing a wide range of extraordinary properties and functionalities. 2D heterostructural materials have recently been fabricated by assembling isolated planes layer-by-layer in a desired sequence. Unusual properties and novel physical phenomena have been unveiled in such layered heterostructures. For example, Hofstadter's butterfly, an intriguing pattern of the energy states of Bloch electrons, was predicted several decades ago to be observable only under unfeasibly strong magnetic fields in conventional materials. But it has been observed recently under current experimental conditions in graphene/BN layered heterostructures, one of the outstanding new kinds of 2D materials. Moreover, another amazing physics phenomenon, Majorana fermions was predicted to exist in heterostructural systems consisting of a superconductor (SC) and a topological insulator (TI) Journal.

cond-mat.mes-hall↗

arXiv2019

Experimental evidence for orbital magnetic moments generated by moiré-scale current loops in twisted bilayer graphene

A remarkable property of twisted bilayer graphene (TBG) with small twist angle is the presence of a well-defined and conserved low-energy valley degrees of freedom1, which can potentially bring about new types of valley-associated spontaneous-symmetry breaking phases. Electron-electron (e-e) interactions in the TBG near the magic angle 1.1 degree can lift the valley degeneracy, allowing for the realization of orbital magnetism and topological phases2-11. However, direct measurement of the orbital-based magnetism in the TBG is still lacking up to now. Here we report evidence for orbital magnetic moment generated by the moire-scale current loops in a TBG with a twist angle θ ~ 1.68 degree. The valley degeneracy of the 1.68 degree TBG is removed by e-e interactions when its low-energy van Hove singularity (VHS) is nearly half filled. A large and linear response of the valley splitting to magnetic fields is observed, attributing to coupling to the large orbital magnetic moment induced by chiral current loops circulating in the moire pattern. According to our experiment, the orbital magnetic moment is about 10.7 uB per moire supercell. Our result paves the way to explore magnetism that is purely orbital in slightly twisted graphene system.

cond-mat.mtrl-sci↗

arXiv2019

Topological metals induced by Zeeman effect

In the present paper, we propose a new way to classify centrosymmetric metals by studying the Zeeman effect caused by an external magnetic field described by the momentum dependent g-factor tensor on the Fermi surfaces. Nontrivial U(1) Berry's phase and curvature can be generated once the otherwise degenerate Fermi surfaces are splitted by the Zeeman effect, which will be determined by both the intrinsic band structure and the structure of g-factor tensor on the manifold of the Fermi surfaces. Such Zeeman effect generated Berry's phase and curvature can lead to three important experimental effects, modification of spin-zero effect, Zeeman effect induced Fermi surface Chern number and the in-plane anomalous Hall effect. By first principle calculations, we study all these effects on two typical material, ZrTe$_5$ and TaAs$_2$ and the results are in good agreement with the existing experiments.

cond-mat.mes-hall↗

arXiv2019

Charge Density Waves in a Quantum Plasma

We analyze the instability of an unpolarized uniform quantum plasma consisting of two oppositely charged fermionic components with varying mass ratios, against charge and spin density waves (CDWs and SDWs). Using density functional theory, we treat each component with the local spin density approximation and a rescaled exchange-correlation functional. Interactions between different components are treated with a mean-field approximation. In both two- and three-dimensions, we find leading unstable CDW modes in the second-order expansion of the energy functional, which would induce the transition to quantum liquid crystals. The transition point and the length of the wave-vector are computed numerically. Discontinuous ranges of the wave-vector are found for different mass ratios between the two components, indicating exotic quantum phase transitions. Phase diagrams are obtained and a scaling relation is proposed to generalize the results to two-component fermionic plasmas with any mass scale. We discuss the implications of our results and directions for further improvement in treating quantum plasmas.

cond-mat.str-el↗

arXiv2019

First principle calculation of the effective Zeeman's couplings in topological materials

In this paper, we propose a first principle calculation method for the effective Zeeman's coupling based on the second perturbation theory and apply it to a few topological materials. For Bi and Bi$_2$Se$_3$, our numerical results are in good accord with the experimental data; for Na$_3$Bi, TaN, and ZrTe$_5$, the structure of the multi-bands Zeeman's couplings are discussed. Especially, we discuss the impact of Zeeman's coupling on the Fermi surface's topology in Na$_3$Bi in detail.

cond-mat.mtrl-sci↗

arXiv2019

Magnetic semimetals and quantized anomalous Hall effect in EuB6

Exploration of the novel relationship between magnetic order and topological semimetals has received enormous interest in a wide range of both fundamental and applied research. Here we predict that soft ferromagnetic (FM) material EuB6 can achieve multiple topological semimetal phases by simply tuning the direction of the magnetic moment. Explicitly, EuB6 is a topological nodal-line semimetal when the moment is aligned along the [001] direction, and it evolves into a Weyl semimetal with three pairs of Weyl nodes by rotating the moment to the [111] direction. Interestingly, we identify a novel semimetal phase featuring the coexistence of a nodal line and Weyl nodes with the moment in the [110] direction. Topological surface states and anomalous Hall conductivity, which is sensitive to the magnetic order, have been computed and are expected to be experimentally observable. Large-Chern-number quantum anomalous Hall effect can be realized in its [111]-oriented quantum-well structure.

cond-mat.mtrl-sci↗

arXiv2019

Anomalous Hall effect, magneto-optical properties, and nonlinear optical properties of twisted graphene systems

We study the anomalous Hall effect, magneto-optical properties, and nonlinear optical properties of twisted bilayer graphene (TBG) aligned with hexagonal boron nitride (hBN) substrate as well as twisted double bilayer graphene systems. We show that non-vanishing valley polarizations in twisted graphene systems would give rise to anomalous Hall effect which can be tuned by in-plane magnetic fields. The valley polarized states are also associated with giant Faraday/Kerr rotations in the terahertz frequency regime. Moreover, both hBN-aligned TBG and TDBG exhibit colossal nonlinear optical responses by virtue of the inversion-symmetry breaking, the small bandwidth, and the small excitation gaps of the systems. Our calculations indicate that in both systems the nonlinear optical conductivities of the shift currents are on the order of $10^3\,μ$A/V$^2$; and the second harmonic generation (SHG) susceptibilities are on the order of $10^6\,$pm/V in the terahertz frequency regime. Moreover, in TDBG with $AB\textrm{-}BA$ stacking, we find that a finite orbital magnetization would generate a new component $σ^{x}_{xx} $ of the nonlinear photoconductivity tensor; while in $AB$-$AB$ stacked TDBG with vertical electric fields, the valley polarization and orbital magnetization would make significant contributions to the $σ^{y}_{xx}$ component of the photoconductivity tensor. These nonlinear photo-conductivities are proportional to the orbital magnetizations of the systems, thus they are expected to exhibit hysteresis behavior in response to out-of-plane magnetic fields.

cond-mat.mes-hall↗

arXiv2019

Giant magnetic quantum oscillations in the thermal conductivity of TaAs: Indications of chiral zero sound

Charge transport of topological semimetals has been in the focus of intensive investigations because of their non-trivial band topology. Heat transport of these materials, on the other hand, is largely unexplored and remains elusive. Here we report on an observation of unprecedented, giant magnetic quantum oscillations of thermal conductivity in the prototypical Weyl semimetal TaAs. The oscillations are antiphase with the quantum oscillating electronic density of states of a Weyl pocket, and their amplitudes amount to two orders of magnitude of the estimation based on the Wiedemann-Franz law. Our analyses show that all the conventional heat-transport mechanisms through diffusions of propagating electrons, phonons and electron-hole bipolar excitations, are far inadequate to account for these phenomena. Taking further experimental facts that the parallel field configuration favors much higher magneto-thermal conductivity, we propose that the newly proposed chiral zero sound provides a reasonable explanation to these exotic phenomena. More work focusing on other topological semimetals along the same line is badly called for.

cond-mat.mtrl-sci↗

arXiv2019

Hear the Sound of Weyl Fermions

Quasiparticles and collective modes are two fundamental aspects that characterize a quantum matter in addition to its ground state features. For example, the low energy physics for Fermi liquid phase in He-III was featured not only by Fermionic quasiparticles near the chemical potential but also by fruitful collective modes in the long-wave limit, including several different sound waves that can propagate through it under different circumstances. On the other hand, it is very difficult for sound waves to be carried by the electron liquid in the ordinary metals, due to the fact that long-range Coulomb interaction among electrons will generate plasmon gap for ordinary electron density fluctuation and thus prohibits the propagation of sound waves through it. In the present paper, we propose a unique type of acoustic collective modes in Weyl semimetals under the magnetic field called chiral zero sound. The chiral zero sound can be stabilized under so-called "chiral limit", where the intra-valley scattering time is much shorter than the inter-valley one, and only propagates along an external magnetic field for Weyl semimetals with multiple-pairs of Weyl points. The sound velocity of the chiral zero sound is proportional to the field strength in the weak field limit, whereas it oscillates dramatically in the strong field limit, generating an entirely new mechanism for quantum oscillations through the dynamics of neutral bosonic excitation, which may manifest itself in the thermal conductivity measurements under magnetic field.

cond-mat.mes-hall↗

arXiv2019

Quantum valley Hall effect, orbital magnetism, and anomalous Hall effect in twisted multilayer graphene systems

We study the electronic structures and topological properties of $(M+N)$-layer twisted graphene systems. We consider the generic situation that $N$-layer graphene is placed on top of the other $M$-layer graphene, and is twisted with respect to each other by an angle $θ$. In such twisted multilayer graphene (TMG) systems, we find that there exists two low-energy flat bands for each valley emerging from the interface between the $M$ layers and the $N$ layers. These two low-energy bands in the TMG system possess valley Chern numbers that are dependent on both the number of layers and the stacking chiralities. In particular, when the stacking chiralities of the $M$ layers and $N$ layers are opposite, the total Chern number of the two low-energy bands for each valley equals to $\pm(M+N-2)$ (per spin). If the stacking chiralities of the $M$ layers and the $N$ layers are the same, then the total Chern number of the two low-energy bands for each valley is $\pm(M-N)$ (per spin). The valley Chern numbers of the low-energy bands are associated with large, valley-contrasting orbital magnetizations, suggesting the possible existence of orbital ferromagnetism and anomalous Hall effect once the valley degeneracy is lifted either externally by a weak magnetic field or internally by Coulomb interaction through spontaneous symmetry breaking.

cond-mat.mes-hall↗

arXiv2019

Higher-order Topology of Axion Insulator EuIn$_2$As$_2$

Based on first-principles calculations and symmetry analysis, we propose that EuIn$_2$As$_2$ is a long awaited axion insulator with antiferromagnetic (AFM) long range order. Characterized by the parity-based invariant $\mathbb Z_4=2$, the topological magneto-electric effect is quantized with $θ=π$ in the bulk, with a band gap as large as 0.1 eV. When the staggered magnetic moment of the AFM phase is along $a/b$ axis, it's also a TCI phase. Gapless surface states emerge on (100), (010) and (001) surfaces, protected by mirror symmetries (nonzero mirror Chern numbers). When the magnetic moment is along $c$ axis, the (100) and (001) surfaces are gapped. As a consequence of a high-order topological insulator with $\mathbb Z_4=2$, the one-dimensional (1D) chiral state can exist on the hinge between those gapped surfaces. We have calculated both the topological surface states and hinge state in different phases of the system, respectively, which can be detected by ARPES or STM experiments.

cond-mat.mtrl-sci↗

arXiv2019

Quantum anomalous vortex and Majorana zero mode in iron-based superconductor Fe(Te,Se)

In topological insulators doped with magnetic ions, spin-orbit coupling and ferromagnetism give rise to the quantum anomalous Hall effect. Here we show that in s-wave superconductors with strong spin-orbit coupling, magnetic impurity ions can generate topological vortices in the absence of external magnetic fields. Such vortices, dubbed quantum anomalous vortices, support robust Majorana zero-energy modes when superconductivity is induced in the topological surface states. We demonstrate that the zero-energy bound states observed in Fe(Te,Se) superconductors are possible realizations of the Majorana zero modes in quantum anomalous vortices produced by the interstitial magnetic Fe. The quantum anomalous vortex matter not only advances fundamental understandings of topological defect excitations of Cooper pairing, but also provides new and advantageous platforms for manipulating Majorana zero modes in quantum computing.

cond-mat.supr-con↗

arXiv2019

The pseudo-Landau-level representation of twisted bilayer graphene: band topology and the implications on the correlated insulating phase

We propose that the electronic structure of twisted bilayer graphene (TBG) can be understood as Dirac fermions coupled with opposite pseudo magnetic fields generated by the moiré pattern. The two low-energy flat bands from each monolayer valley originate from the two zeroth pseudo Landau levels of Dirac fermions under such opposite effective magnetic fields, which have opposite sublattice polarizations and carry opposite Chern numbers $\pm1$, giving rise to helical edge states in the gaps below and above the low-energy bulk bands near the first magic angle. We argue that small Coulomb interactions would split the eight-fold degeneracy (including valley and physical spin) of these zeroth pseudo Landau levels, and may lead to insulating phases with non-vanishing Chern numbers at integer fillings. Besides, we show that all the high-energy bands below or above the flat bands are also topologically nontrivial in the sense that for each valley the sum of their Berry phases is quantized as $\pmπ$. Such quantized Berry phases give rise to nearly flat edge states, which are dependent on truncations on the moiré length scale. Our work provides a complete and clear picture for the electronic structure and topological properties of TBG, and has significant implications on the natrue of the correlated insulating phase observed in experiments.

cond-mat.mes-hall↗

arXiv2018

Topological insulators vs. topological Dirac semimetals in honeycomb compounds

Intriguing physical property of materials stems from their chemical constituent whereas the connection between them is often not clear. Here, we uncover a general chemical classification for the two quantum phases in the honeycomb ABX structure--topological insulator (TI) and topological Dirac semimetal (TDSM). First, we find among the 816 (existing as well as hypothetical) calculated compounds, 160 TI's (none were noted before), 96 TDSM's, 282 normal insulators (NI's), and 278 metals. Second, based on this classification, we have distilled a simple chemical regularity based on compound formulae for the selectivity between TI and TDSM: The ABX compounds that are TDSM have B atoms (part of the BX honeycomb layers) that come from the Periodic Table columns XI (Cu, Ag, Au) or XII (Zn, Cd, Hg), or Mg (group II), whereas the ABX compounds whose B atoms come from columns I (Li, Na, K, Rb, Cs) or II (Ca, Sr, Ba) are TI's. Third, focusing on the ABX Bismide compounds that are thermodynamically stable, we find a structural motif that delivers topological insulation and stability at the same time. This study opens the way to simultaneously design new topological materials based on the compositional rules indicated here.

cond-mat.mtrl-sci↗

arXiv2018

Symmetry Enforced Chiral Hinge States and Surface Quantum Anomalous Hall Effect in Magnetic Axion Insulator $\text{Bi}_{2-x}\text{Sm}_x\text{Se}_3$

A universal mechanism to generate chiral hinge states in the ferromagnetic axion insulator phase is proposed, which leads to an exotic transport phenomena, the quantum anomalous Hall effect (QAHE) on some particular surfaces determined by both the crystalline symmetry and the magnetization direction. A realistic material system Sm doped $\text{Bi}_2\text{Se}_3$ is then proposed to realize such exotic hinge states by combing the first principle calculations and the Green's function techniques. A physically accessible way to manipulate the surface QAHE is also proposed, which makes it very different from the QAHE in ordinary 2D systems.

cond-mat.mes-hall↗