In this paper we investigate the influence of the next-nearest-neighbor coupling of tight-binding model of graphene on the spectrum of plasmon excitations. The nearest-neighbor tight-binding model was previously used to calculate plasmon spectrum in the next paper [1]. We expand the previous results of the paper by the next-nearest-neighbor tight-binding model. Both methods are based on the numerical calculation of the dielectric function of graphene and loss function. Here we compare plasmon spectrum of the next-nearest and nearest-neighbor tight-binding models and find differences between plasmon dispersion of two models.
Transistor structures comprising graphene and sub-wavelength metal gratings hold a great promise for plasmon-enhanced terahertz detection. Despite considerable theoretical effort, little experimental evidence for terahertz plasmons in such structures was found so far. Here, we report an experimental study of plasmons in graphene-insulator-grating structures using Fourier transform spectroscopy in 5-10 THz range. The plasmon resonance is clearly visible above the Drude absorption background even in chemical vapor deposited (CVD) graphene with low carrier mobility $\sim 10^3$ cm$^2$/(V s). We ar…
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 te…
We explore the collective electromagnetic response in atomic clusters of various sizes and geometries. Our aim is to understand, and hence to control, their dielectric response, based on a fully quantum-mechanical description which captures accurately their relevant collective modes. The electronic energy levels and wave functions, calculated within the tight-binding model, are used to determine the non-local dielectric response function. It is found that the system shape, the electron filling and the driving frequency of the external electric field strongly control the resonance properties of…
The spectrum of two-dimensional (2D) plasma waves in graphene has been recently studied in the Dirac fermion model. We take into account the whole dispersion relation for graphene electrons in the tight binding approximation and the local field effects in the electrodynamic response. Near the wavevectors close to the corners of the hexagon-shaped Brillouin zone we found new low-frequency 2D plasmon modes with a linear spectrum. These "inter-valley" plasmon modes are related to the transitions between the two nearest Dirac cones.
Accurate modeling of the pi-bands of armchair graphene nanoribbons (AGNRs) requires correctly reproducing asymmetries in the bulk graphene bands as well as providing a realistic model for hydrogen passivation of the edge atoms. The commonly used single-pz orbital approach fails on both these counts. To overcome these failures we introduce a nearest-neighbor, three orbital per atom p/d tight-binding model for graphene. The parameters of the model are fit to first-principles density-functional theory (DFT) - based calculations as well as to those based on the many-body Green's function and scree…
The ab initio band structure of 2D graphene sheet is well reproduced by the third nearest neighbor tight binding model proposed by Reich et al [Phys. Rev. B 66, 035412]. For ribbon structures, the existing sets of tight binding parameters can successfully explain semi-conducting behavior of all armchair ribbon structures. However, they are still failing in describing accurately the slope of the bands while this feature is directly associated to the group velocity and the effective mass of electrons. In this work, both density functional theory and tight binding calculations were performed and …
Complex bands $\vec{k}^{\perp}(E)$ in a semiconductor crystal, along a general direction $\vec{n}$, can be computed by casting Schrödinger's equation as a generalized polynomial eigenvalue problem. When working with primitive lattice vectors, the order of this eigenvalue problem can grow large for arbitrary $\vec{n}$. It is however possible to always choose a set of non-primitive lattice vectors such that the eigenvalue problem is restricted to be quadratic. The complex bands so obtained need to be unfolded onto the primitive Brillouin zone. In this paper, we present a unified method to unfold…
In typical flat-band models, defined as nearest-neighbor tight-binding models, flat bands are usually pinned to the special energies, such as top or bottom of dispersive bands, or band-crossing points. In this paper, we propose a simple method to tune the energy of flat bands without losing the exact flatness of the bands. The main idea is to add farther-neighbor hoppings to the original nearest-neighbor models, in such a way that the transfer integral depends only on the Manhattan distance. We apply this method to several lattice models including the two-dimensional kagome lattice and the thr…
We investigate higher-order plasmons in graphene nanoribbons, and present how electronic edge states and wavefunction fine structure influence the graphene plasmons. Based on nearest-neighbor tight-binding calculations, we find that a standing-wave model based on nonlocal bulk plasmon dispersion is surprisingly accurate for armchair ribbons of widths even down to a few nanometers, and we determine the corresponding phase shift upon edge reflection and an effective ribbon width. Wider zigzag ribbons exhibit a similar phase shift, whereas the standing-wave model describes few-nanometer zigzag ri…
The dispersion relations for plasmons in intrinsic and extrinsic semimetallic armchair graphene nanoribbons (acGNR) are calculated in the random phase approximation using the orthogonal p_z-orbital tight binding method. Our model predicts new plasmons for acGNR of odd atomic widths N=5,11,17,... Our model further predicts plasmons in acGNR of even atomic width N=2,8,14,... related to those found using a Dirac continuum model, but with different quantitative dispersion characteristics. We find that the dispersion of all plasmons in semimetallic acGNR depends strongly on the localization of the …
We study plasmon modes in doped AA-stacked bilayer graphene (BLG) within the nearest-neighbor tight-binding and the random phase approximation. We obtain closed analytical expressions for the polarizability function which are used to obtain the low-energy dispersion relations of and the numerical results for both acoustic and optical plasmon modes. Our result reveal the potential of AA-stacked BLG to be used as a tunable plasmonic device. In particular we find that the long-wavelength acoustic plasmon disperse as $ω_{+}\approx\sqrt{max(|μ|,t_{1})q}$ with a phase space which shrinks and vanishe…
We investigate localization properties in a family of deterministic (i.e. no disorder) nearest neighbor tight binding models with quasiperiodic onsite modulation. We prove that this family is self-dual under a generalized duality transformation. The self-dual condition for this general model turns out to be a simple closed form function of the model parameters and energy. We introduce the typical density of states as an order parameter for localization in quasiperiodic systems. By direct calculations of the inverse participation ratio and the typical density of states we numerically verify tha…
We report the plasmon dispersion characteristics of intrinsic and extrinsic armchair graphene nanoribbons of atomic width N = 5 using a p_z-orbital tight binding model with third-nearest-neighbor (3nn) coupling. The coupling parameters are obtained by fitting the 3nn dispersions to that of an extended Huckel theory. The resultant massive Dirac Fermion system has a band gap E_g \approx 64 meV. The extrinsic plasmon dispersion relation is found to approach a common dispersion curve as the chemical potential $μ$ increases, whereas the intrinsic plasmon dispersion relation is found to have both en…
Graphene is considered to be plasmon active only up to the infrared based on combined tight binding model and random phase approximation calculations. Here we show that the optical properties of graphene as measured by ellipsometry and simulated by density functional theory imply the existence of strongly localized graphene plasmons in the visible with a line width of 0.1 eV. Using small emitters that provide the high wavevectors necessary to excite graphene plasmons at optical frequencies we demonstrate graphene plasmon induced excitation enhancement by nearly 3 orders of magnitude.
For a wide class of noninteracting tight-binding models in one dimension we present an analytical solution for all scattering and edge states on a half-infinite system. Without assuming any symmetry constraints we consider models with nearest-neighbor hoppings and one orbital per site but arbitrary size of the unit cell and generic modulations of on-site potentials and hoppings. The solutions are parametrized by determinants which can be calculated from recursion relations. This representation allows for an elegant analytic continuation to complex quasimomentum consistent with previous treatme…
We study magnon spectra at finite temperature in yttrium iron garnet from tight-binding model with nearest neighboring exchange interaction. The spin reduction due to thermal magnon excitation are taken into account via the mean field approximation to the local spin and found to be different at two sets of iron atoms. The resulting temperature dependence of the spin wave gap shows good agreement with experiment. We find only two magnon modes are relevant to ferromagnetic resonance.
The electronic excitations of bilayer graphene (BLG) under a magnetic field are investigated with the use of the Peierls tight-binding model in conjunction with random-phase approximation (RPA). The interlayer atomic interactions, interlayer Coulomb interactions, and magnetic field effects are simultaneously included in the dielectric-function matrix. That enables us to derive the magneto-Coulomb-excitation spectrum of different stacking structures. The two typical arrangements of BLGs, AB and AA, are considered in this article. AB-BLG exhibits many discrete energy-loss peaks, which correspond…
We present a linear response calculation for twisted bilayer graphene. The calculation is performed for both the continuum and tight-binding models, with the aim of assessing the validity of the former. All qualitatively important features previously reported by us [T. Stauber et al. Phys. Rev. Lett. 120, 046801 (2018)] for the Drude matrix in the continuum model are also present in the tight-binding calculation, with increasing quantitative agreement for decreasing twist angle. These features include the chiral longitudinal magnetic moment associated with plasmonic modes, and the anomalous co…
The tight-binding model is closely associated with the modified layer-based random-phase approximation to thoroughly investigate the electron-electron interactions in sliding bilayer graphene. The Coulomb interactions and intralayer and interlayer atomic interactions dominate the collective and electron-hole excitations. The unusual energy bands are directly reflected in the diverse transferred momentum-frequency phase diagrams. In general, there exist two kinds of plasmon modes during the variation of the doping level in sliding bilayer graphene, being accompanied with the complicated intraba…
Experiments on hexagonal graphene-like structures using microwave measuring techniques are presented. The lowest transverse-electric resonance of coupled dielectric disks sandwiched between two metallic plates establishes a tight-binding configuration. The nearest-neighbor coupling approximation is investigated in systems with few disks. Taking advantage of the high flexibility of the disks positions, consequences of the disorder introduced in the graphene lattice on the Dirac points are investigated. Using two different types of disks, a boron-nitride-like structure (a hexagonal lattice with …
Using a nearest-neighbor tight-binding model we investigate quantum effects of plasmons on few-nanometer wide graphene nanoribbons, both for zigzag and armchair edge terminations. With insight from the Dirac description we find an emerging scale-invariant behavior that deviates from the classical model both for zigzag and armchair structures. The onset of the deviation can be related to the position of the lowest parabolic band in the band structure. Dirac theory is only valid in the parameter subspace where the scale invariance holds that relates narrow ribbons with high doping to wide ribbon…
The ability of graphene to support long-lived, electrically tunable plasmons that interact strongly with light, combined with its highly nonlinear optical response, has generated great expectations for application of the atomically-thin material to nanophotonic devices. These expectations are mainly reinforced by classical analyses performed using the response derived from extended graphene, neglecting finite-size and nonlocal effects that become important when the carbon layer is structured on the nanometer scale in actual device designs. Here we show that finite-size effects produce large co…
Adsorbates on graphene can create resonances that lead to efficient electron scattering and strongly affect the electronic conductivity. Therefore a proper description of these resonances is important to get a good insight of their effect on conductivity. The characteristics of the resonance and in particular its T-matrix depend on the adsorbate itself but also on the electronic structure of graphene. Here we show that a proper tight-binding model of graphene which includes hopping beyond the nearest-neighbor lead to sizable modifications of the scattering properties with respect to the mostly…
The collective excitation spectrum of two-dimensional (2D) antimonene is calculated beyond the low energy continuum approximation. The dynamical polarizability is computed using a 6-orbitals tight-binding model that properly accounts for the band structure of antimonene in a broad energy range. Electron-electron interaction is considered within the random phase approximation. The obtained spectrum is rich, containing the standard intra-band 2D plasmon and a set of single inter-band modes. We find that spin-orbit interaction plays a fundamental role in the reconstruction of the excitation spect…
The effect of edge modification of armchair graphene nanoribbons (AGNRs) on the collective excitations are theoretically investigated. The tight-binding method is employed in conjunction with the dielectric function. Unconventional plasmon modes and their association with the flat bands of the specially designed AGNRs are thoroughly studied. We demonstrate the robust relationship between the novel collective excitations and both the type and period of the edge modification. Additionally, we reveal that the main features displayed in the (momentum, frequency)-phase diagrams for both single-part…
Moving, merging and annihilating Dirac points are studied theoretically in the tight-binding model on honeycomb lattice with up-to third-nearest-neighbor hoppings. We obtain a rich phase diagram of the topological phase transitions in the parameter space of direction-dependent hoppings. We obtain the conditions for the three Dirac points to merge and for the tricritical points. We find that only very small third-nearest-neighbor hoppings are enough for the existence of the merging of three-Dirac-points and the tricritical points, if the system is sufficiently anisotropic. The density of states…
Tight binding electrons on the honeycomb lattice are studied where nearest neighbor hoppings in the three directions are $t_a,t_b$ and $t_c$, respectively. For the isotropic case, namely for $t_a=t_b=t_c$, two zero modes exist where the energy dispersions at the vanishing points are linear in momentum $k$. Positions of zero modes move in the momentum space as $t_a,t_b$ and $t_c$ are varied. It is shown that zero modes exist if $||\frac{t_b}{t_a}| -1| \leq |\frac{t_c}{t_a}| \leq ||\frac{t_b}{t_a}|+1|$. The density of states near a zero mode is proportional to $|E|$ but it is propotional to $\sq…
We experimentally study the propagation of microwaves in an artificial honeycomb lattice made of dielectric resonators. This evanescent propagation is well described by a tight-binding model, very much like the propagation of electrons in graphene. We measure the density of states, as well as the wave function associated with each eigenfrequency. By changing the distance between the resonators, it is possible to modulate the amplitude of next-(next-)nearest-neighbor hopping parameters and to study their effect on the density of states. The main effect is the density of states becoming dissymme…
A novel approach to investigate the electron transport of cis- and trans-polyacetylene chains in the single-electron approximation is presented by using microwave emulation measurements and tight-binding calculations. In the emulation we take into account the different electronic couplings due to the double bonds leading to coupled dimer chains. The relative coupling constants are adjusted by DFT calculations. For sufficiently long chains a transport band gap is observed if the double bonds are present, whereas for identical couplings no band gap opens. The band gap can be observed also in rel…
The dynamical conductivity of interacting multiband electronic systems derived in Ref.[1] is shown to be consistent with the general form of the Ward identity. Using the semiphenomenological form of this conductivity formula, we have demonstrated that the relaxation-time approximation can be used to describe the damping effects in weakly interacting multiband systems only if local charge conservation in the system and gauge invariance of the response theory are properly treated. Such a gauge-invariant response theory is illustrated on the common tight-binding model for conduction electrons in …
In this paper, we calculated the dielectric function, the loss function, the magnetoplasmon dispersion relation and the temperature-induced transitions for graphene in a uniform perpendicular magnetic field B. The calculations were performed using the Peierls tight-binding model to obtain the energy band structure and the random-phase approximation to determine the collective plasma excitation spectrum. The single-particle and collective excitations have been precisely identified based on the resonant peaks in the loss function. The critical wave vector at which plasmon damping takes place is …
Nonreciprocal plasmons in one-dimensional carbon nanostructures
Max-Born-Institut（马克斯·玻恩研究所）；Center for Nanophotonics, NWO Institute AMOLF（纳米光子学中心，NWO AMOLF研究所）；ICFO-Institut de Ciencies Fotoniques, The Barcelona Institute of Science and Technology（ICFO-光子科学研究所，巴塞罗那科学技术研究所）；ICREA-Institució Catalana de Recerca i Estudis Avançats（ICREA-加泰罗尼亚研究高级学院）；POLIMA—Center for Polariton-driven Light–Matter Interactions, University of Southern Denmark（POLIMA-极化激元驱动光物质相互作用中心，南丹麦大学）；Danish Institute for Advanced Study, University of Southern Denmark（丹麦高等研究院，南丹麦大学）
In this paper we study the excitation spectrum of single- and multi-layer graphene beyond the Dirac cone approximation. The dynamical polarizability of graphene is computed using a full $π$-band tight-binding model, considering the possibility of inter-layer hopping in the calculation. The effect of electron-electron interaction is considered within the random phase approximation. We further discuss the effect of disorder in the spectrum, which leads to a smearing of the absorption peaks. Our results show a redshift of the $π$-plasmon dispersion of single-layer graphene with respect to graphit…
We use a tight-binding model and the random-phase approximation to study the Coulomb excitations in simple-hexagonal-stacking multilayer graphene and discuss the field effects. The calculation results include the energy bands, the response functions, and the plasmon dispersions. A perpendicular electric field is predicted to induce significant charge transfer and thus capable of manipulating the energy, intensity, and the number of plasmon modes. This could be further validated by inelastic light scattering or electron-energy-loss spectroscopy.
The next-nearest neighbor interaction (NNN) is included in a tight-binding calculation of the electronic spectrum and conductivity of doped graphene. As a result, we observe a wide variation of the conductivity behavior, since the Fermi energy and the resonance peak are not shifted by the same amount. Such effect can have a profound effect in the idea of explaining the minimal conductivity of graphene as a consequence of impurities or defects. Finally, we also estimate the mean free path and relaxation time due to resonant impurity scattering.
The electronic structure of Bernal-stacked graphite subject to tilted magnetic fields is studied theoretically. The minimal nearest-neighbor tight-binding model with the Peierls substitution is employed to describe the structure of Landau levels. We show that while the orbital effect of the in-plane component of the magnetic field is negligible for massive Dirac fermions in the vicinity of the K point of the graphite Brillouin zone, at the H point it leads to the experimentally observable splitting of Landau levels, which grows approximately linearly with the in-plane field intensity.
We demonstrate that a tight-binding Hamiltonian with nearest- and next-nearest-neighbor hopping integrals can be decomposed into bulk and boundary parts in a general lattice system. The Hamiltonian decomposition reveals that next nearest-neighbor hopping causes sizable changes in the energy spectrum of surface states even if the correction to the energy spectrum of bulk states is negligible. By applying the Hamiltonian decomposition to edge states in graphene systems, we show that the next nearest-neighbor hopping stabilizes the edge states.
We investigate the effect of orbital overlap on optical matrix elements in empirical tight-binding models. Empirical tight-binding models assume an orthogonal basis of (atomiclike) states and a diagonal coordinate operator which neglects the intra-atomic part. It is shown that, starting with an atomic basis which is not orthogonal, the orthogonalization process induces intra-atomic matrix elements of the coordinate operator and extends the range of the effective Hamiltonian. We analyze simple tight-binding models and show that non-orthogonality plays an important role in optical matrix element…
Serving as a new two-dimensional plasmonic material, graphene has stimulated an intensive study of its optical properties which benefit from the unique electronic band structure of the underlying honeycomb lattice of carbon atoms. In classical electrodynamics, nanostructured graphene is commonly modeled by the computationally demanding problem of a three-dimensional conducting film of atomic-scale thickness. Here, we propose an efficient alternative two-dimensional electrostatic approach where all the calculation procedures are restricted to the plane of the graphene sheet. To explore possible…
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 relationshi…
Many commonly used nearest neighbor tight binding models for cubic semiconductors often result in inaccurate band structures when transferred to hexagonal polytypes. The resulting bandgaps are systematically too small, and in some cases calculations may erroneously predict a metal for the wurtzite polytype. We have calculated a set of $\rm spds^*$ tight binding parameters for the hexagonal phases of non-nitride III-V and group V semiconductors fit to experimental data and empirical pseudopotential calculations. Our fitting procedure constrains the parameters to be as close as possible to those…
In order to elucidate the presence of non-localized states in doped graphene, an scaling analysis of the wave function moments known as inverse participation ratios is performed. The model used is a tight- binding hamiltonian considering nearest and next-nearest neighbors with random substitutional impurities. Our findings indicate the presence of non-normalizable wave functions that follow a critical (power-law) decay, which are between a metallic and insulating behavior. The power-law exponent distribution is robust against the inclusion of next-nearest neighbors and on growing the system si…
For two-dimensional lattices in a tight-binding description, the intrinsic spin-orbit coupling, acting as a complex next-nearest-neighbor hopping, opens gaps that exhibit the quantum spin Hall effect. In this paper, we study the effect of a real next-nearest-neighbor hopping term on the band structure of several Dirac systems. In our model, the spin is conserved, which allows us to analyze the spin Chern numbers. We show that in the Lieb, kagome, and T_3 lattices, variation of the amplitude of the real next-nearest-neighbor hopping term drives interesting topological phase transitions. These t…
We study the statistical properties of energy spectra of two-dimensional quasiperiodic tight-binding models. We demonstrate that the nearest-neighbor level spacing distributions of these non-random systems are well described by random matrix theory. Properly taking into account the symmetries of models defined on various finite approximants of quasiperiodic tilings, we find that the underlying universal level-spacing distribution is given by the Wigner-Dyson distribution of the Gaussian orthogonal random matrix ensemble. Our data allow us to see the differences between the Wigner surmise and t…
We have developed the tight-binding theory to study electronic and optical properties of type-II heterostructures CA/C'A' grown from the zinc-blende semiconductors CA and C'A' along the crystallographic direction [001]. The sp^3s* nearest-neighbor tight-binding model with allowance for the spin-orbit interaction is used to calculate the energy states and the in-plane linear polarization of the spatially-indirect band-edge photoluminescence of InAs/AlSb and ZnSe/BeTe multi-layered structures. The interface parameters for a pair of the nonstandard planes C-A' or C'-A are considered as fitting va…
The excitation spectrum and the collective modes of graphene antidot lattices (GALs) are studied in the context of a $π$-band tight-binding model. The dynamical polarizability and dielectric function are calculated within the random phase approximation. The effect of different kinds of disorder, such as geometric and chemical disorder, are included in our calculations. We highlight the main differences of GALs with respect to single-layer graphene (SLG). Our results show that, in addition to the well-understood bulk plasmon in doped samples, inter-band plasmons appear in GALs. We further show …
Molybdenum disulfide (MoS2) is a layered semiconductor which has become very important recently as an emerging electronic device material. Being an intrinsic semiconductor the two-dimensional MoS2 has major advantages as the channel material in field-effect transistors. In this work we determine the electronic structure of MoS2 with the highly accurate screened hybrid functional within the density functional theory (DFT) including the spin-orbit coupling. Using the DFT electronic structures as target, we have developed a single generic tight-binding (TB) model that accurately produces the elec…
We present a three-band tight-binding (TB) model for describing the low-energy physics in monolayers of group-VIB transition metal dichalcogenides $MX_2$ ($M$=Mo, W; $X$=S, Se, Te). As the conduction and valence band edges are predominantly contributed by the $d_{z^{2}}$, $d_{xy}$, and $d_{x^{2}-y^{2}}$ orbitals of $M$ atoms, the TB model is constructed using these three orbitals based on the symmetries of the monolayers. Parameters of the TB model are fitted from the first-principles energy bands for all $MX_2$ monolayers. The TB model involving only the nearest-neighbor $M$-$M$ hoppings is s…
Coulomb interaction and its screening play an important role in many physical phenomena of materials ranging from optical properties to many-body effects including superconductivity. Here, we report on a systematic study of dielectric screening in few-layer black phosphorus (BP), a two-dimensional material with promising electronic and optical characteristics. We use a combination of a tight-binding model and rigorously determined bare Coulomb interactions, which allows us to consider relevant microscopic effects beyond the long-wavelength limit. We calculate the dielectric function of few-lay…
An exact expression of the bridge-mediated donor-acceptor effective coupling, is derived. For systems represented by a tight-binding Hamiltonian with nearest-neighbor interactions, we show that the effective coupling, is equal to the product over all square of nearest-neighbor couplings divided by an appropriate product of level spacing of eigen energies of the Hamiltonian. Results of this calculation are compared to those obtained by perturbative approaches and some drawbacks of the latter are pointed out.
We study two correlated electrons in a nearest neighbour tight- binding chain, with both on site and nearest neighbour interaction. Both the cases of parallel and antiparallel spins are considered. In addition to the free electron band for two electrons, there are correlated bands with positive or negative energy, depending on wheather the interaction parameters are repulsive or attractive. Electrons form bound states, with amplitudes that decay exponentially with separation. Conditions for such states to be filled at low temperatures are discussed.
We present a reconfigurable topological photonic system consisting of a 2D lattice of coupled ring resonators, with two sublattices of site rings coupled by link rings, which can be accurately described by a tight-binding model. Unlike previous coupled-ring topological models, the design is translationally invariant, similar to the Haldane model, and the nontrivial topology is a result of next-nearest couplings with non-zero staggered phases. The system exhibits a topological phase transition between trivial and spin Chern insulator phases when the sublattices are frequency detuned. Such topol…
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…
We consider the relationship between the tight-binding Hamiltonian of the two-dimensional honeycomb lattice of carbon atoms with nearest neighbor hopping only and the 2+1 dimensional Hamiltonian of quantum electrodynamics which follows in the continuum limit. We pay particular attention to the symmetries of the free Dirac fermions including spatial inversion, time reversal, charge conjugation and chirality. We illustrate the power of such a mapping by considering the effect of the possible symmetry breaking which corresponds to the creation of a finite Dirac mass, on various optical properties…
