Screening and plasmons in pure and disordered single- and bilayer black phosphorus

We study collective plasmon excitations and screening of disordered single- and bilayer black phosphorus beyond the low energy continuum approximation. The dynamical polarizability of phosphorene is computed using a tight-binding model that properly accounts for the band structure in a wide energy range. Electron-electron interaction is considered within the Random Phase Approximation. Damping of the plasmon modes due to different kinds of disorder, such as resonant scatterers and long-range disorder potentials, is analyzed. We further show that an electric field applied perpendicular to bilayer phosphorene can be used to tune the dispersion of the plasmon modes. For sufficiently large electric field, the bilayer BP enters in a topological phase with a characteristic plasmon spectrum, which is gaped in the armchair direction.Comment: 9 pages, 9 figure

Landau Level Spectrum of ABA- and ABC-stacked Trilayer Graphene

We study the Landau level spectrum of ABA- and ABC-stacked trilayer graphene. We derive analytic low energy expressions for the spectrum, the validity of which is confirmed by comparison to a \pi -band tight-binding calculation of the density of states on the honeycomb lattice. We further study the effect of a perpendicular electric field on the spectrum, where a zero-energy plateau appears for ABC stacking order, due to the opening of a gap at the Dirac point, while the ABA-stacked trilayer graphene remains metallic. We discuss our results in the context of recent electronic transport experiments. Furthermore, we argue that the expressions obtained can be useful in the analysis of future measurements of cyclotron resonance of electrons and holes in trilayer graphene.Comment: 10 pages, 8 figure

Effect of Point Defects on the Optical and Transport Properties of MoS2 and WS2

Imperfections in the crystal structure, such as point defects, can strongly modify the optical and transport properties of materials. Here, we study the effect of point defects on the optical and DC conductivities of single layers of semiconducting transition metal dichalcogenides with the form $M$S$_2$, where $M$=Mo or W. The electronic structure is considered within a six bands tight-binding model, which accounts for the relevant combination of $d$ orbitals of the metal $M$ and $p$ orbitals of the chalcogen $S$. We use the Kubo formula for the calculation of the conductivity in samples with different distributions of disorder. We find that $M$ and/or S defects create mid-gap states that localize charge carriers around the defects and which modify the optical and transport properties of the material, in agreement with recent experiments. Furthermore, our results indicate a much higher mobility for $p$-doped WS$_2$ in comparison to MoS$_2$

Self-Consistent Screening Approximation for Flexible Membranes: Application to Graphene

Crystalline membranes at finite temperatures have an anomalous behavior of the bending rigidity that makes them more rigid in the long wavelength limit. This issue is particularly relevant for applications of graphene in nano- and micro-electromechanical systems. We calculate numerically the height-height correlation function $G(q)$ of crystalline two-dimensional membranes, determining the renormalized bending rigidity, in the range of wavevectors $q$ from $10^{-7}$ \AA$^{-1}$ till 10 \AA$^{-1}$ in the self-consistent screening approximation (SCSA). For parameters appropriate to graphene, the calculated correlation function agrees reasonably with the results of atomistic Monte Carlo simulations for this material within the range of $q$ from $10^{-2}$ \AA$^{-1}$ till 1 \AA$^{-1}$. In the limit $q\rightarrow 0$ our data for the exponent $\eta$ of the renormalized bending rigidity $\kappa_R(q)\propto q^{-\eta}$ is compatible with the previously known analytical results for the SCSA $\eta\simeq 0.82$. However, this limit appears to be reached only for $q<10^{-5}$ \AA$^{-1}$ whereas at intermediate $q$ the behavior of $G(q)$ cannot be described by a single exponent.Comment: 5 pages, 4 figure

Thermodynamics of quantum crystalline membranes

We investigate the thermodynamic properties and the lattice stability of two-dimensional crystalline membranes, such as graphene and related compounds, in the low temperature quantum regime $T\rightarrow0$. A key role is played by the anharmonic coupling between in-plane and out-of plane lattice modes that, in the quantum limit, has very different consequences than in the classical regime. The role of retardation, namely of the frequency dependence, in the effective anharmonic interactions turns out to be crucial in the quantum regime. We identify a crossover temperature, $T^{*}$, between classical and quantum regimes, which is $\sim 70 - 90$ K for graphene. Below $T^{*}$, the heat capacity and thermal expansion coefficient decrease as power laws with decreasing temperature, tending to zero for $T\rightarrow0$ as required by the third law of thermodynamics.Comment: 13 pages, 1 figur

Reply to 'Comment on "Thermodynamics of quantum crystalline membranes"'

In this note, we reply to the comment made by E.I.Kats and V.V.Lebedev [arXiv:1407.4298] on our recent work "Thermodynamics of quantum crystalline membranes" [Phys. Rev. B 89, 224307 (2014)]. Kats and Lebedev question the validity of the calculation presented in our work, in particular on the use of a Debye momentum as a ultra-violet regulator for the theory. We address and counter argue the criticisms made by Kats and Lebedev to our work.Comment: 5 pages, 4 figure

Plasmon Spectrum of Single Layer Antimonene

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 spectrum, with the emergence of novel inter-band branches in the continuum that interact with the plasmon.Comment: 8 pages, 9 figures, accepted by Phys. Rev.

Effect of moir\'e superlattice reconstruction in the electronic excitation spectrum of graphene-metal heterostructures

We have studied the electronic excitation spectrum in periodically rippled graphene on Ru(0001) and flat, commensurate graphene on Ni(111) by means of high-resolution electron energy loss spectroscopy and a combination of density functional theory and tight-binding approaches. We show that the periodic moir\'e superlattice originated by the lattice mismatch in graphene/Ru(0001) induces the emergence of an extra mode, which is not present in graphene/Ni(111). Contrary to the ordinary intra-band plasmon of doped graphene, the extra mode is robust in charge-neutral graphene/metal contacts, having its origin in electron-hole inter-band transitions between van Hove singularities that emerge in the reconstructed band structure, due to the moir\'e pattern superlattice.Comment: Supplemental materials available at http://www.theorphys.science.ru.nl/people/yuan

Polarization of graphene in a strong magnetic field beyond the Dirac cone approximation

In this paper we study the excitation spectrum of graphene in a strong magnetic field, beyond the Dirac cone approximation. The dynamical polarizability is obtained using a full $\pi$-band tight-binding model where the effect of the magnetic field is accounted for by means of the Peierls substitution. The effect of electron-electron interaction is considered within the random phase approximation, from which we obtain the dressed polarization function and the dielectric function. The range of validity of the Landau level quantization within the continuum approximation is studied, as well as the non-trivial quantization of the spectrum around the Van Hove singularity. We further discuss the effect of disorder, which leads to a smearing of the absorption peaks, and temperature, which activates additional inter-Landau level transitions induced by the Fermi distribution function.Comment: 11 pages, 10 figure