Stanene is a two-dimensional (2D) buckled honeycomb structure which has been studied recently owing to its promising electronic properties for potential electronic and spintronic applications in nanodevices. In this article, we present a first-principles study of electronic properties of fluorinated bilayer stanene. The effect of tensile strain, intrinsic spin-orbit, and van der Waals interactions are considered within the framework of density functional theory. The electronic band structure shows a very small overlap between valence and conduction bands at the Γ point which is a characteristic of semimetal in fluorinated bilayer stanene. A relatively high value of tensile strain is needed to open an energy band gap in the electronic band structure and the parity analysis reveals that the strained nanostructure is a trivial insulator. According to our results, despite the monolayer fluorinated stanene, the bilayer one is not an appropriate candidate for topological insulator.
One of the hallmarks of light-spin interaction in solids is the appearance of photocurrent that depends on the light helicity. Recent studies have shown that helicity dependent photocurrent (HDP) emerges due to light induced spin current and the inverse spin Hall effect of semimetal thin films. We have studied HDP in metal/semimetal bilayers. Compared to Bi single layer films, we find the HDP is enhanced in metal/Bi bilayers. For the bilayers, the sign of HDP under back illumination reverses from that of front illumination. The back illumination photocurrent is the largest for Ag/Bi bilayers a…
We report anomalous quantum transport features in bilayer graphene in presence of a random distribution of structural vacancies. By using an efficient real-space Kubo-Greenwood transport methodology, the impact of a varying density of dimer versus non-dimer vacancies is investigated in very large scale disordered models. While non-dimer vacancies are shown to induce localization regimes, dimer vacancies result in an unexpected ballistic regime whose energy window surprisingly enlarges with increasing impurity density. Such counterintuitive phenomenon is explained by the formation of an effecti…
Recently, magic-angle twisted bilayer graphene (MATBLG) has shown the emergence of various interaction-driven novel quantum phases at the commensurate fillings of the moir'e superlattice, while the charge neutrality point (CNP) remains mostly a vanilla insulator. Here, we show an emerging phase of nearly compensated semimetallicity at the CNP of twisted double bilayer graphene (TDBLG), a close cousin of MATBLG, with signatures of electronic correlation. Using electrical and thermal transport, we find almost two orders of magnitude enhancement of the thermopower in magnetic fields much smaller …
The topological nature of Weyl semimetals (WSMs) is corroborated by the presence of chiral surface states, which connect the projections of the bulk Weyl points by Fermi arcs (FAs). We study a bilayer structure realized by introducing a thin insulating spacer into a bulk WSM. Employing a self-consistent mean-field description of the interlayer Coulomb interaction, we propose that this system can develop an interlayer electron-hole pair condensate. The formation of this excitonic condensate leads to partial gapping of the FA dispersion. We obtain the dependence of the energy gap and the critica…
Charge-neutral conducting systems represent a class of materials with unusual properties governed by electron-hole (e-h) interactions. Depending on the quasiparticles' statistics, band structure, and device geometry these semimetallic phases of matter can feature unconventional responses to external fields that often defy simple interpretations in terms of single-particle physics. Here we show that small-angle twisted bilayer graphene (SA-TBG) offers a highly-tunable system in which to explore interactions-limited electron conduction. By employing a dual-gated device architecture we tune our d…
We report on a fully self-consistent Hartree-Fock calculation of interaction effects on the Moiré flat bands of twisted bilayer graphene, assuming that valley U(1) symmetry is respected. We use realistic band structures and interactions and focus on the charge neutrality point, where experiments have variously reported either insulating or semimetallic behavior. Restricting the search to orders for which the valley U(1) symmetry remains unbroken, we find three types of self-consistent solutions with competitive ground state energy (i) insulators that break $C_2 {\mathcal T}$ symmetry, includin…
We investigate the electron properties of the monolayer and bilayer silicene which is the honeycomb lattice consist of silicon atoms, including the optical conductivity and charged impurity scattering, due to the quasipatricle Dirac-like behaviors near the K-point of silicene. The spin, valley, sublattice degrees of freedom are taken into consider in the multi-band tight-binding model. In momentum space, the scattering matrix which connects the two bare (without interaction) Green's functions in the quasiparticle momentum transport process, could be momentum-independent for the single impuirit…
The long-sought Majorana fermion is expected to manifest in a topological-superconductor heterostructure as a zero bias conductance peak (ZBCP). As one promising platform for such heterostructures, we investigate the cleaved surface of the topological semimetal Sb(111) using scanning tunneling microscopy and spectroscopy. Remarkably, we find a robust ZBCP on some terraces of the cleaved surface, although no superconductor is present. Using quasiparticle interference imaging, Landau level spectroscopy and density functional theory, we show that the ZBCP originates from a van Hove singularity pu…
The effect of Coulomb interaction in an ensemble of Dirac fermions on the formation of superconducting pairing in monolayer and bilayer doped graphene is studied using the Kohn-Luttinger mechanism disregarding the Van der Waals potential of the substrate and impurities. The electronic structure of graphene is described using the Shubin-Vonsovsky model taking into account the intratomic, interatomic, and interlayer (in the case of bilayer graphene) Coulomb interactions between electrons. The Cooper instability is determined by solving the Bethe-Saltpeter integral equation. The renormalized scat…
Ferroelectricity, the electrostatic counterpart to ferromagnetism, has long been thought to be incompatible with metallicity due to screening of electric dipoles and external electric fields by itinerant charges. Recent measurements, however, demonstrated signatures of ferroelectric switching in the electrical conductance of bilayers and trilayers of WTe$_2$, a semimetallic transition metal dichalcogenide with broken inversion symmetry. An especially promising aspect of this system is that the density of electrons and holes can be continuously tuned by an external gate voltage. This degree of …
Twisted bilayer graphene (TBG) near "magic angles" has emerged as a rich platform for strongly correlated states of two-dimensional Dirac semimetals. Here we show that twisted bilayers of thin-film magnetic topological insulators (MTI) with large in-plane magnetization can realize flat bands near 2D Dirac nodes. Using a simple model for thin films of MTIs, we derive a continuum model for two such MTIs, twisted by a small angle with respect to each other. When the magnetization is in-plane, we show that interlayer tunneling terms act as effective $SU(2)$ vector potentials, which are known to le…
Black phosphorus (BP), a layered van der Waals material, reportedly has a band gap sensitive to external perturbations and manifests a Dirac-semimetal phase when its band gap is closed. Previous studies were focused on effects of each perturbation, lacking a unified picture for the band-gap closing and the Dirac-semimetal phase. Here, using pseudospins from the glide-reflection symmetry, we study the electronic structures of mono- and bilayer BP and construct the phase diagram of the Dirac-semimetal phase in the parameter space related to pressure, strain, and electric field. We find that the …
Monte Carlo Studies of Twisted Bilayer Graphene: Strain and Thermal Fluctuations
Weizmann Institute of Science（魏茨曼科学研究所）；Max Planck Institute for the Physics of Complex Systems（马克斯·普朗克复杂系统物理研究所）；Massachusetts Institute of Technology（麻省理工学院）；Harvard University（哈佛大学）；University of Illinois at Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）；Korea Institute for Advanced Study（韩国高等研究院）；University of California Santa Barbara（加州大学圣塔芭芭拉分校）
Using first-principles calculations, we study the structural and electronic properties of the bilayer SnS/graphene, bilayer SnS/bilayer graphene (AA-stacked), bilayer SnS/bilayer graphene (AB-stacked) and monolayer SnS/graphene/monolayer SnS van der Waals (vdW) heterostructures. Electronic properties of all components of the vdW heterostructures are well preserved, which reflects the weakness of the vdW interaction. In the cases of bilayer SnS/graphene and bilayer SnS/bilayer graphene (AA-stacked), an Ohmic contact is formed which can be turned first into p-type and then into n-type Schottky c…
The electronic structure of multilayer graphenes depends strongly on the number of layers as well as the stacking order. Here we explore the electronic transport of purely ABA-stacked trilayer graphenes in a dual-gated field-effect device configuration. We find that both the zero-magnetic-field transport and the quantum Hall effect at high magnetic fields are distinctly different from the monolayer and bilayer graphenes, and that they show electron-hole asymmetries that are strongly suggestive of a semimetallic band overlap. When the ABA trilayers are subjected to an electric field perpendicul…
Bilayer silicene has richer physical properties than bilayer graphene due to its buckled structure together with its trigonal symmetric structure. The buckled structure arises from a large ionic radius of silicon, and the trigonal symmetry from a particular way of hopping between two silicenes. It is a topologically trivial insulator since it carries a trivial $\mathbb{Z}_{2}$ topological charge. Nevertheless, its physical properties are more akin to those of a topological insulator than those of a band insulator. Indeed, a bilayer silicene nanoribbon has edge modes which are almost gapless an…
Bilayer graphene is normally a semimetal with parabolic dispersion, but a tunable bandgap up to few hundreds meV can be opened by breaking the symmetry between the layers through an external potential. Ab-initio calculations show that the optical response around the bandgap is strongly dominated by bound excitons, whose characteristics and selection rules differ from the usual excitons found in semiconductor quantum wells. In this work we study the physics of those excitons resonantly coupled to a photonic microcavity, assessing the possibility to reach the strong and the ultrastrong coupling …
Undoped bilayer graphene is a two-dimensional semimetal with a low-energy excitation spectrum that is parabolic in the momentum. As a result, the screening of an arbitrary external charge $Ze$ is accompanied by a reconstruction of the ground state: valence band electrons (for $Z>0$) are promoted to form a space charge around the charge while the holes leave the physical picture. The outcome is flat neutral object resembling the regular atom except that for $Z \gg 1$ it is described by a strictly linear Thomas-Fermi theory. This theory also predicts that the bilayer's static dielectric constant…
Stacking two graphene layers twisted by the 'magic angle' $θ\approx 1.1^\circ$ generates flat energy bands, which in turn catalyzes various strongly correlated phenomena depending on filling and sample details. At charge neutrality, transport measurements reveal superficially mundane semimetallicity (as expected when correlations are weak) in some samples yet robust insulation in others. We propose that the interplay between interactions and disorder admits either behavior, even when the system is strongly correlated and locally gapped. Specifically, we argue that strong interactions supplemen…
Ultrafast Current Switching from Quantum Geometry in Semimetals
KIAS（韩国高等科学研究院）；School of Physics, KIAS（韩国高等科学研究院物理学院）；Department of Semiconductor Physics, Kangwon National University（江原国立大学半导体物理系）；Department of Electronic and Electrical Convergence Engineering, Hongik University（弘益大学电子电气融合工程系）；Department of Physics, Ajou University（亚洲大学物理系）
In this paper, we consider the spectral properties of the bilayer graphene with the local excitonic pairing interaction between the electrons and holes. We consider the generalized Hubbard model, which includes both intralayer and interlayer Coulomb interaction parameters. The solution of the excitonic gap parameter is used to calculate the electronic band structure, single-particle spectral functions, the hybridization gap, and the excitonic coherence length in the bilayer graphene. We show that the local interlayer Coulomb interaction is responsible for the semimetal-semiconductor transition…
The Seebeck coefficient in single and bilayer graphene sheets has been observed to be modest due to the gapless characteristic of these structures. In this work, we demonstrate that this coefficient is significantly high in quasi-1D structures of bilayer armchair graphene nanoribbons (BL-AGNRs) thanks to the open gaps induced by the quantum confinement effect. We show that the Seebeck coefficient of BL-AGNRs is also classified into three groups 3p, 3p + 1, 3p + 2 as the energy gap. And for the semiconducting BL-AGNR of width of 12 dimer lines, the Seebeck coefficient is found as high as 707 uV…
When the dimension of a solid structure is reduced, there will be two emerging effects, quantum confinement and surface effect, which dominate at nanoscale. Based on first-principles calculations, we demonstrate that due to an intriguing interplay between these two dominating effects, the topological and electronic (topo-electronic) properties of Sb (111) nanofilms undergo a series of transitions as a function of the reducing film thickness: transforming from a topological semimetal to a topological insulator at 7.8 nm (22 bilayer), then to a quantum spin hall (QSH) phase at 2.7 nm (8 bilayer)…
The interfacial charge transfer from the substrate may influence the electronic structure of the epitaxial van der Waals (vdW) monolayers and thus their further technological applications. For instance, the freestanding Sb monolayer in puckered honeycomb phase (α-antimonene), the structural analog of black phosphorene, was predicted to be a semiconductor, but the epitaxial one behaves as a gapless semimetal when grown on the Td-WTe2 substrate. Here, we demonstrate that interface engineering can be applied to tune the interfacial charge transfer and thus the electron band of epitaxial monolayer…
Electrons with large kinetic energy have a superconducting instability for infinitesimal attractive interactions. Quenching the kinetic energy and creating a flat band renders an infinitesimal repulsive interaction the relevant perturbation. Thus, flat band systems are an ideal platform to study the competition of superconductivity and magnetism and their possible coexistence. Recent advances in the field of twisted bilayer graphene highlight this in the context of two-dimensional materials. Two dimensions, however, put severe restrictions on the stability of the low-temperature phases due to …
Using the tight-binding approach, we investigate the electronic properties of bilayer phosphorene (BLP) quantum dots (QDs) in the presence of perpendicular electric and magnetic fields. Since BLP consists of two coupled phosphorene layers, it is of interest to examine the layer-dependent electronic properties of BLP QDs, such as the electronic distributions over the two layers and the so-produced layer-polarization features, and to see how these properties are affected by the magnetic field and the bias potential. We find that in the absence of a bias potential only edge states are layer-polar…
Graphene can be turned into a semimetal with broken time-reversal symmetry by adding a valley-dependent pseudo-scalar potential that shifts the Dirac point energies in opposite directions, as in the modified Haldane model. We consider a bilayer obtained by stacking two time-reversed copies of the modified Haldane model, where conduction and valence bands cross to give rise to a nodal line in each valleys. In the AB stacking, the interlayer hopping lifts the degeneracy of the nodal lines and induces a band repulsion, leading surprisingly to a chiral insulator with a Chern number $C=\pm2$. As a …
The low-energy band structure of Bernal-stacked hexlayer graphene was investigated by the measuring transport properties of high-mobility graphene samples equipped with a top and a bottom gate electrode at low temperature and in a magnetic field. By analyzing the Landau fan diagram, it was found that the hexlayer graphene consisted of three different bilayer-like bands that overlap and form a semimetal. The electronic band structure was significantly influenced by the perpendicular electric field generated by the top and bottom gate voltages. The Not fan diagram shows splitting of zero-mode La…
Graphene is a two-dimensional (2D) semimetal with high mobility in charge carriers due to the existence of Dirac points. Silicene is another promising material, with properties analog to graphene. Many silicon (Si) based electronic devices can be integrated via graphene-silicene (Gra/si) hybrid structures. These electronic applications are mostly based on the ability to tune the bandgap via electronic structure deformation that is expected to be achieved by multilayer stacking, applying a transverse external electric field (EF), and altering interfacial distance. In this work, we investigate t…
We consider two-dimensional Fermi systems with quadratic band touching and $C_3$ symmetry, as realizable in Bernal-stacked honeycomb bilayers. Within a renormalization-group analysis, we demonstrate the existence of a quantum critical point at a finite value of the density-density interactions, separating a semimetallic disordered phase at weak coupling from a gapped ordered phase at strong coupling. The latter may be characterized by, for instance, antiferromagnetic, quantum anomalous Hall, or charge density wave order. In the semimetallic phase, each point of quadratic band touching splits i…
The emergence of alternating twist multilayer graphene (ATMG) as a generalization of twisted bilayer graphene (TBG) raises the question - in what important ways do these systems differ? Here, we utilize ab-initio relaxation and single-particle theory, analytical strong coupling analysis, and Hartree-Fock to contrast ATMG with $n=3,4,5,\ldots$ layers and TBG. $\textbf{I}$: We show how external fields enter in the decomposition of ATMG into TBG and graphene subsystems. The parallel magnetic field has little effect for $n$ odd due to mirror symmetry, but surprisingly also for any $n > 2$ if we ar…
Relativistic Mott transition and high-order van Hove singularity in twisted double bilayer WSe${}_2$: mean-field and functional renormalization group study
We present a theoretical study of electronic transport in a hybrid junction consisting of an excitonic insulator sandwiched between a normal and a superconducting electrode. The normal region is described as a two-band semimetal and the superconducting lead as a two-band superconductor. In the excitonic insulator region, the coupling between carriers in the two bands leads to an excitonic condensate and a gap $Γ$ in the quasiparticle spectrum. We identify four different scattering processes at both interfaces. Two types of normal reflection, intra- and inter-band; and two different Andreev ref…
Electronic materials can sustain a variety of unusual, but symmetry protected touchings of valence and conduction bands, each of which is identified by a distinct topological invariant. Well-known examples include linearly dispersing pseudo-relativistic fermions in monolayer graphene, Weyl and nodal-loop semimetals, biquadratic (bicubic) band touching in bilayer (trilayer) graphene, as well as mixed dispersions in multi-Weyl systems. Here we show that depending on the underlying band curvature, the shear viscosity in the collisionless regime displays a unique power-law scaling with frequency a…
We explore the effect of antidot size on electronic and magnetic properties of graphene antidot lattices from first-principles calculations. The spin-polarized density of states, band gap, formation energy and the total magnetization of two different equilateral triangular and right triangular antidots with zigzag and mixed zigzag-armchair edges are studied. We find that although the values of band gap, formation energy and the total magnetization of both structures are different, these values may increase when the number of zigzag edges is increased. The armchair edges have no contribution in…
