arXiv subjects

Zhen Zhan

Publications and source records attributed to Zhen Zhan.

At least 37 records · Page 2Linked to original sources

arXiv2024

Robust flat bands in twisted trilayer graphene quasicrystals

Moiré structures formed by twisting three layers of graphene with two independent twist angles present an ideal platform for studying correlated quantum phenomena, as an infinite set of angle pairs is predicted to exhibit flat bands. Moreover, the two mutually incommensurate moiré patterns among the twisted trilayer graphene (TTG) can form highly tunable moiré quasicrystals. This enables us to extend correlated physics in periodic moiré crystals to quasiperiodic systems. However, direct local characterization of the structure of the moiré quasicrystals and of the resulting flat bands are still lacking, which is crucial to fundamental understanding and control of the correlated moiré physics. Here, we demonstrate the existence of flat bands in a series of TTGs with various twist angle pairs and show that the TTGs with different magic angle pairs are strikingly dissimilar in their atomic and electronic structures. The lattice relaxation and the interference between moiré patterns are highly dependent on the twist angles. Our direct spatial mappings, supported by theoretical calculations, reveal that the localization of the flat bands exhibits distinct symmetries in different regions of the moiré quasicrystals.

cond-mat.mtrl-sci↗

arXiv2023

Observation of Rydberg moiré excitons

Rydberg excitons, the solid-state counterparts of Rydberg atoms, have sparked considerable interest in harnessing their quantum application potentials, whereas a major challenge is realizing their spatial confinement and manipulation. Lately, the rise of two-dimensional moiré superlattices with highly tunable periodic potentials provides a possible pathway. Here, we experimentally demonstrate this capability through the observation of Rydberg moiré excitons (XRM), which are moiré trapped Rydberg excitons in monolayer semiconductor WSe2 adjacent to twisted bilayer graphene. In the strong coupling regime, the XRM manifest as multiple energy splittings, pronounced redshift, and narrowed linewidth in the reflectance spectra, highlighting their charge-transfer character where electron-hole separation is enforced by the strongly asymmetric interlayer Coulomb interactions. Our findings pave the way for pursuing novel physics and quantum technology exploitation based on the excitonic Rydberg states.

cond-mat.mes-hall↗

arXiv2022

Electronic properties of twisted bilayer graphene suspended and encapsulated with hexagonal boron nitride

The recent observed anomalous Hall effect in magic angle twisted bilayer graphene (TBG) aligned to hexagonal boron nitride (hBN) and unconventional ferroelectricity in Bernal bilayer graphene sandwiched by hBN present a new platform to tune the correlated properties in graphene systems. In these graphene-based moiré superlattices, the aligned hBN substrate plays an important role. In this paper, we analyze the effects of hBN substrate on the band structure of the TBG. By means of an atomistic tight-binding model we calculate the electronic properties of TBG suspended and encapsulated with hBN. Interestingly, we found that the physical properties of TBG are extremely sensitive to the presence of hBN and they may be completely different if TBG is suspended or encapsulated. We quantify these differences by analysing their electronic properties, optical conductivity and band topology. We found that the narrow bandwidth, band gap, local density of states and optical conductivity are significantly modified by the aligned hBN substrates. Interestingly, these electronic properties can be used as a signature of the alignment in experiment. Moreover, the TBG/hBN superlattices in the presence or absence of the two-fold rotation symmetry response differently to the external electric field. For the TBG suspended in the hBN, application of an electric field results in the charge unevenly distributed between graphene layers, which can be used to tune the strength of the valley Hall effect or the anomalous Hall effect. Such rich topological phase diagram in these systems may be useful for experiments.

cond-mat.mes-hall↗

arXiv2022

TBPLaS: a Tight-Binding Package for Large-scale Simulation

TBPLaS is an open-source software package for the accurate simulation of physical systems with arbitrary geometry and dimensionality utilizing the tight-binding (TB) theory. It has an intuitive object-oriented Python application interface (API) and Cython/Fortran extensions for the performance critical parts, ensuring both flexibility and efficiency. Under the hood, numerical calculations are mainly performed by both exact diagonalizatin and the tight-binding propagation method (TBPM) without diagonalization. Especially, the TBPM is based on the numerical solution of time-dependent Schrödinger equation, achieving linear scaling with system size in both memory and CPU costs. Consequently, TBPLaS provides a numerically cheap approach to calculate the electronic, transport and optical properties of large tight-binding models with billions of atomic orbitals. Current capabilities of TBPLaS include the calculation of band structure, density of states, local density of states, quasi-eigenstates, optical conductivity, electrical conductivity, Hall conductivity, polarization function, dielectric function, plasmon dispersion, carrier mobility and velocity, localization length and free path, Z2 topological invariant, wave-packet propagation, etc. All the properties can be obtained with only a few lines of code. Other algorithms involving tight-binding Hamiltonians can be implemented easily thanks to its extensible and modular nature. In this paper, we discuss the theoretical framework, implementation details and common workflow of TBPLaS, and give a few demonstrations of its applications.

cond-mat.mtrl-sci↗

arXiv2022

Commensurate and incommensurate double moiré interference in twisted trilayer graphene

Twisted graphene multi-layers have been recently demonstrated to share several correlation-driven behaviours with twisted bilayer graphene. In general, the van Hove singularities (VHSs) can be used as a proxy of the tendency for correlated behaviours. In this paper, we adopt an atomistic method by combining tight-binding method with the semi-classical molecular dynamics to investigate the electronic structures of twisted trilayer graphene (TTG) with two independent twist angles. The two independent twist angles can lead to the interference of the moiré patterns forming a variety of commensurate/incommensurate complex supermoiré patterns. In particular, the lattice relaxation, twist angle and angle disorder effects on the VHS are discussed. We find that the lattice relaxation significantly influence the position and magnitude of the VHSs. In the supermoiré TTG, the moiré interference provides constructive or destructive effects depending on the relative twist angle. By modulating the two independent twist angles, novel superstructures, for instance, the Kagome-like lattice, could constructed via the moiré pattern. Moreover, we demonstrate that a slight change in twist angles (angle disorder) provides a significant suppression of the peak of the VHSs. Apart from the moiré length, the evolution of the VHSs and the LDOS mapping in real space could be used to identify the twist angles in the complicated TTG. In practice, our work could provide a guide for exploring the flat band behaviours in the supermoiré TTG experimentally.

cond-mat.mes-hall↗

arXiv2022

Flat-band plasmons in twisted bilayer transition metal dichalcogenides

Twisted bilayer transition metal dichalcogenides are ideal platforms to study flat-band phenomena. In this paper, we investigate flat-band plasmons in the hole-doped twisted bilayer MoS$_2$ (tb-MoS$_2$) by employing a full tight-binding model and the random phase approximation. When considering lattice relaxations in tb-MoS$_2$, the flat band is not separated from remote valence bands, which makes the contribution of interband transitions in transforming the plasmon dispersion and energy significantly different. In particular, low-damped and quasi-flat plasmons emerge if we only consider intraband transitions in the doped flat band, whereas a $\sqrt q$ plasmon dispersion emerges if we also take into account interband transitions between the flat band and remote bands. Furthermore, the plasmon energies are tunable with twist angles and doping levels. However, in a rigid sample that suffers no lattice relaxations, lower-energy quasi-flat plasmons and higher-energy interband plasmons can coexist. For rigid tb-MoS$_2$ with a high doping level, strongly enhanced interband transitions quench the quasi-flat plasmons. Based on the lattice relaxation and doping effects, we conclude that two conditions, the isolated flat band and a properly hole-doping level, are essential for observing the low-damped and quasi-flat plasmon mode in twisted bilayer transition metal dichalcogenides. We hope that our study on flat-band plasmons can be instructive for studying the possibility of plasmon-mediated superconductivity in twisted bilayer transition metal dichalcogenides in the future.

cond-mat.mes-hall↗

arXiv2021

Realizing One-dimensional Metallic States in Graphene via Periodically Coupled Zeroth Pseudo-Landau Levels

Strain-induced pseudo-magnetic fields can mimic real magnetic fields to generate a zero-magnetic-field analogue of the Landau levels (LLs), i.e., the pseudo-LLs, in graphene. The distinct nature of the pseudo-LLs enables one to realize novel electronic states beyond that can be feasible with real LLs. Here, we report the realization of one-dimensional (1D) metallic states, which can be described well by the Su-Schrieffer-Heeger model, in graphene via periodically coupled zeroth pseudo-LLs. In our experiment, nanoscale strained structures embedded with pseudo-LLs are generated periodically along 1D channel of suspended graphene monolayer. Our experiments demonstrate that the zeroth pseudo-LLs of these strained structures are coupled to form metallic states, exhibiting a serpentine pattern that snakes back and forth along the 1D suspended graphene monolayer. These results are verified theoretically by large-scale tight-binding calculations of the strained samples. Our result provides a new pathway to realize novel quantum states and engineer the electronic properties of graphene by using the localized pseudo-LLs as building blocks.

cond-mat.mes-hall↗

arXiv2021

An accurate description of the structural and electronic properties of twisted bilayer graphene-boron nitride heterostructures

Twisted bilayer graphene (TBG) has taken the spotlight in the condensed matter community since the discovery of correlated phases at the so-called magic angle. Interestingly, the role of a substrate on the electronic properties of TBG has not been completely elucidated. Up to now, most of the theoretical works carried out in order to understand this effect have been done using continuum models. In this work, we have gone one step ahead and have studied heterostructures of TBG and hBN using an atomistic tight-binding model together with semi-classical molecular dynamics to take into account relaxation effects. We found that the presence of the hBN substrate has significant effects to the band structure of TBG even in the case where TBG and hBN are not aligned. Specifically, the substrate induces a large mass gap and strong pseudomagnetic fields which break the layer degeneracy. Interestingly, such degeneracy can be recovered with a second hBN layer. Finally, we have also developed a continuum model that describes the tight-binding band structure. Our results show that a real-space tight-binding model in combination with semi-classical molecular dynamics are a powerful tool to study the electronic properties of supermoiré systems and that using this real-space methodology could be key in order to explain certain experimental results in which the effect of the substrate plays an important role.

cond-mat.mes-hall↗

arXiv2021

Magic angle and plasmon mode engineering in twisted trilayer graphene with pressure

Recent experimental and theoretical investigations demonstrate that twisted trilayer graphene (tTLG) is a highly tunable platform to study the correlated insulating states, ferromagnetism, and superconducting properties. Here we explore the possibility of tuning electronic correlations of the tTLG via a vertical pressure. A full tight-binding model is used to accurately describe the pressure-dependent interlayer interactions. Our results show that pressure can push a relatively larger twist angle (for instance, $1.89^{\circ}$) tTLG to reach the flat-band regime. Next, we obtain the relationship between the pressure-induced magic angle value and the critical pressure. These critical pressure values are almost half of that needed in the case of twisted bilayer graphene. Then, plasmonic properties are further investigated in the flat band tTLG with both zero-pressure magic angle and pressure-induced magic angle. Two plasmonic modes are detected in these two kinds of flat band samples. By comparison, one is a high energy damping-free plasmon mode that shows similar behavior, and the other is a low energy plasmon mode (flat-band plasmon) that shows obvious differences. The flat-band plasmon is contributed by both interband and intraband transitions of flat bands, and its divergence is due to the various shape of the flat bands in tTLG with zero-pressure and pressure-induced magic angles. This may provide an efficient way of tuning between regimes with strong and weak electronic interactions in one sample and overcoming the technical requirement of precise control of the twist angle in the study of correlated physics.

cond-mat.mes-hall↗

arXiv2021

Lattice relaxation, mirror symmetry and magnetic field effects on ultraflat bands in twisted trilayer graphene

Twisted graphene multilayers exhibit strongly correlated insulating states and superconductivity due to the presence of ultraflat bands near the charge neutral point. In this paper, the response of ultraflat bands to lattice relaxation and a magnetic field in twisted trilayer graphene (tTLG) with different stacking arrangements is investigated by using a full tight-binding model. We show that lattice relaxations are indispensable for understanding the electronic properties of tTLG, in particular, of tTLG in the presence of mirror symmetry. Lattice relaxations renormalize the quasiparticle spectrum near the Fermi energy and change the localization of higher energy flat bands. Furthermore, different from the twisted bilayer graphene, the Hofstadter butterfly spectrum can be realized at laboratory accessible strengths of magnetic field. Our work verifies tTLG as a more tunable platform than the twisted bilayer graphene in strongly correlated phenomena.

cond-mat.mes-hall↗

arXiv2020

Collective excitations and plasmon spectrum in twisted bilayer graphene near the magic angle

Twisted bilayer graphene with tiny rotation angles have drawn significant attention due to the observation of the unconventional superconducting and correlated insulating behaviors. In this paper, we employ a full tight-binding model to investigate collective excitations in twisted bilayer graphene near magic angle. The polarization function is obtained from the tight-binding propagation method without diagonalization of the Hamiltonian matrix. With the atomic relaxation considered in the simulation, damped and undamped interband plasmon modes are discovered near magic angle under both room temperature and superconductivity transition temperature. In particular, an undamped plasmon mode in narrow bands can be directly probed in magic angle twisted bilayer graphene at superconductivity transition temperature. The undamped plasmon mode is tunable with angles and gradually fades away with both temperature and chemical potential. In practice, the flat bands in twisted bilayer graphene can be detected by exploring the collective plasmons from the measured energy loss function.

cond-mat.mes-hall↗

arXiv2020

Multi-ultraflatbands tunability and effect of spin-orbit coupling in twisted bilayer transition metal dichalcogenides

Ultraflatbands that have been theoretically and experimentally detected in a bunch of van der Waals stacked materials showing some peculiar properties, for instance, highly localized electronic states and enhanced electron-electron interactions. In this Letter, using an accurate tight-binding model, we study the formation and evolution of ultraflatbands in transition metal dichalcogenides (TMDCs) under low rotation angles. We find that, unlike in twisted bilayer graphene, ultraflatbands exist in TMDCs for almost any small twist angles and their wave function becomes more localized when the rotation angle decreases. Lattice relaxation, pressure and local deformation can tune the width of the flatbands, as well as their localization. Furthermore, we investigate the effect of spin-orbit coupling on the flatbands and discover spin/orbital/valley locking at the minimum of the conduction band at the K point of the Brillouin zone. The ultraflatbands found in TMDCs with a range of rotation angle below $7^\circ$, may provide an ideal platform to study strongly correlated states.

cond-mat.mes-hall↗

arXiv2020

Tuning band gaps in twisted bilayer MoS$_2$

In the emerging world of twisted bilayer structures, the possible configurations are limitless, which enables for a rich landscape of electronic properties. In this paper, we focus on twisted bilayer transition metal dichalcogenides (TMDCs) and study its properties by means of an accurate tight-binding model. We build structures with different angles and find that the so-called flatbands emerge when the twist angle is sufficiently small (around 7.3$^{\circ}$). Interestingly, the band gap can be tuned up to a 2.2\% (51 meV) when the twist angle in the relaxed sample varies from 21.8$^{\circ}$ to 0.8$^{\circ}$. Furthermore, when looking at local density of states we find that the band gap varies locally along the moirè pattern due to the change in the coupling between layers at different sites. Finally, we also find that the system can suffer a transition from a semiconductor to a metal when a sufficiently strong electric field is applied. Our study can serve as a guide for the practical engineering of the TMDCs based optoelectronic devices.

cond-mat.mes-hall↗

arXiv2020

Electronic structure of 30° twisted double bilayer graphene

In this paper, the electronic properties of 30° twisted double bilayer graphene, which loses the translational symmetry due to the incommensurate twist angle, are studied by means of the tight-binding approximation. We demonstrate the interlayer decoupling in the low-energy region from various electronic properties, such as the density of states, effective band structure, optical conductivity and Landau level spectrum. However, at Q points, the interlayer coupling results in the appearance of new Van Hove singularities in the density of states, new peaks in the optical conductivity and importantly the 12-fold-symmetry-like electronic states. The k-space tight-binding method is adopted to explain this phenomenon. The electronic states at Q points show the charge distribution patterns more complex than the 30° twisted bilayer graphene due to the symmetry decrease. These phenomena appear also in the 30° twisted interface between graphene monolayer and AB stacked bilayer.

cond-mat.mtrl-sci↗

arXiv2019

Large-area, periodic, and tunable intrinsic pseudo-magnetic fields in low-angle twisted bilayer graphene

A properly strained graphene monolayer or bilayer is expected to harbour periodic pseudo-magnetic fields with high symmetry, yet to date, a convincing demonstration of such pseudo-magnetic fields has been lacking, especially for bilayer graphene. Here, we report the first definitive experimental proof for the existence of large-area, periodic pseudo-magnetic fields, as manifested by vortex lattices in commensurability with the moiré patterns of low-angle twisted bilayer graphene. The pseudo-magnetic fields are strong enough to confine the massive Dirac electrons into circularly localized pseudo-Landau levels, as observed by scanning tunneling microscopy/spectroscopy, and also corroborated by tight-binding calculations. We further demonstrate that the geometry, amplitude, and periodicity of the pseudo-magnetic field can be fine-tuned by both the rotation angle and heterostrain applied to the system. Collectively, the present study substantially enriches twisted bilayer graphene as a powerful enabling platform for exploration of new and exotic physical phenomena, including quantum valley Hall effects and quantum anomalous Hall effects.

cond-mat.str-el↗

arXiv2019

Dodecagonal bilayer graphene quasicrystal and its approximants

Dodecagonal bilayer graphene quasicrystal has 12-fold rotational order but lacks translational symmetry which prevents the application of band theory. In this paper, we study the electronic and optical properties of graphene quasicrystal with large-scale tight-binding calculations involving more than ten million atoms. We propose a series of periodic approximants which reproduce accurately the properties of quasicrystal within a finite unit cell. By utilizing the band-unfolding method on the smallest approximant with only 2702 atoms, the effective band structure of graphene quasicrystal is derived. Novel features, such as the emergence of new Dirac points (especially the mirrored ones), the band gap at M point and the Fermi velocity are all in agreement with recent experiments. The properties of quasicrystal states are identified in the Landau level spectrum and optical excitations. Importantly, our results show that the lattice mismatch is the dominant factor determining the accuracy of layered approximants. The proposed approximants can be used directly for other layered materials in honeycomb lattice, and the design principles can be applied for any quasi-periodic incommensurate structures.

cond-mat.mes-hall↗

arXiv2019

Quantum time-dependent Monte Carlo simulation of electron devices with 2D linear-band materials: a genuine TeraHertz signature for graphene

An intrinsic electron injection model for linear band two-dimensional (2D) materials, like graphene, is presented and its coupling to a recently developed quantum time-dependent Monte Carlo simulator for electron devices, based on the use of stochastic Bohmian conditional wave functions, is explained. The simulator is able to capture the full (DC, AC, transient and noise) performance of 2D electron devices. In particular, we demonstrate that the injection of electrons with positive and negative kinetic energies is mandatory when investigating high frequency performance of linear band materials with Klein tunneling, while traditional models dealing with holes (defined as the lack of electrons) can lead to unphysical results. We show that the number of injected electrons is bias-dependent, implying that an extra charge is required to get self-consistent results. Interestingly, we provide a successful comparison with experimental DC data. Finally, we predict that a genuine high-frequency signature due to a roughly constant electron injection rate in 2D linear band electron devices (which is missing in 2D parabolic band ones) can be used as a band structure tester.

cond-mat.mes-hall↗

arXiv2019

Implications of the Klein tunneling times on high frequency graphene devices using Bohmian trajectories

Because of its large Fermi velocity, leading to a great mobility, graphene is expected to play an important role in (small signal) radio frequency electronics. Among other, graphene devices based on Klein tunneling phenomena are already envisioned. The connection between the Klein tunneling times of electrons and cut-off frequencies of graphene devices is not obvious. We argue in this paper that the trajectory-based Bohmian approach gives a very natural framework to quantify Klein tunneling times in linear band graphene devices because of its ability to distinguish, not only between transmitted and reflected electrons, but also between reflected electrons that spend time in the barrier and those that do not. Without such distinction, typical expressions found in the literature to compute dwell times can give unphysical results when applied to predict cut-off frequencies. In particular, we study Klein tunneling times for electrons in a two-terminal graphene device constituted by a potential barrier between two metallic contacts. We show that for a zero incident angle (and positive or negative kinetic energy), the transmission coefficient is equal to one, and the dwell time is roughly equal to the barrier distance divided by the Fermi velocity. For electrons incident with a non-zero angle smaller than the critical angle, the transmission coefficient decreases and dwell time can still be easily predicted in the Bohmian framework. The main conclusion of this work is that, contrary to tunneling devices with parabolic bands, the high graphene mobility is roughly independent of the presence of Klein tunneling phenomena in the active device region.

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