Related papers: Nonmonotonic band gap evolution in bent phosphoren…
Using molecular dynamics (MD) simulations, we explore the structural stability and mechanical integrity of phosphorene nanotubes (PNTs), where the intrinsic strain in the tubular PNT structure plays an important role. It is proposed that…
Flat bands - single-particle energy bands - in tight-binding networks have attracted attention due to the presence of macroscopic degeneracies and their extreme sensitivity to perturbations. This makes them natural candidates for emerging…
Strain induced band gap deformations of hydrogenated/fluorinated graphene and hexagonal BN sheet have been investigated using first principles density functional calculations. Within harmonic approximation, the deformation is found to be…
We report nanoscale bandgap engineering via a local strain across the inhomogeneous ferroelectric interface, which is controlled by the visible-light-excited probe voltage. Switchable photovolatic effects and the spectral response of the…
The canonical understanding of quantum oscillation in metals is challenged by the observation of de Haas-van Alphen effect in an insulator, SmB$_{6}$ [Tan \emph{et al}, Science {\bf349}, 287 (2015)]. Based on a two-band model with inverted…
Faraday rotation is a fundamental property present in all non-reciprocal optical elements. In the THz range, graphene displays strong Faraday rotation; unfortunately, it is limited to frequencies below the cyclotron resonance. Here we show…
We report about the effect of an applied external mechanical load on a periodic structure exhibiting band gaps induced by inertial amplification mechanism. If compared to the cases of Bragg scattering and ordinary local resonant…
Deterministic band gap in quasi-one-dimensional nanoribbons is prerequisite for their integrated functionalities in high-performance molecular-electronics based devices. However, multiple band gap values commonly observed in the same width…
We show that the electron-phonon coupling in graphene, in contrast with the non-relativistic two-dimensional electron gas, leads to shifts in the phonon frequencies that are non-trivial functions of the electronic density. These shifts can…
While resonant modes do not exist within band gaps in infinite periodic materials, they may appear as in-gap localized edge modes once the material is truncated to form a finite periodic structure. Here, we provide an analysis framework…
Exfoliated black phosphorus has recently emerged as a new two-dimensional crystal that, due to its peculiar and anisotropic crystalline and electronic band structures, may have potentially important applications in electronics,…
We study the effect of strain on the band engineering in gapped graphene subject to external sources. By applying the Floquet theory, we determine the effective Hamiltonian of electron dressed by a linearly, circularly and an elliptically…
The effects of edge covalent functionalization on the structural, electronic and optical properties of elongated armchair graphene nanoflakes (AGNFs) are analyzed in detail for a wide range of terminations, within the ramework of…
Three two-dimensional phosphorus nitride (PN) monolayer sheets (named as $\alpha$-, $\beta$-, and $\gamma$-PN, respectively) with fantastic structures and properties are predicted based on first-principles calculations. The $\alpha$-PN and…
The electronic transport properties of Janus monolayer black arsenic phosphorus (b-AsP) nanoribbons have been investigated utilizing the tight-binding approach. The dependence of electronic structure on edge structures is systematically…
The Seebeck coefficient is an important quantity in determining the thermoelectric efficiency of a material. Phosphorene is a two-dimensional material with a puckered structure, which makes its properties anisotropic. In this work, a…
A theory is presented for the strong enhancement of graphene-on-substrate bandgaps by attractive interactions mediated through phonons in a polarizable superstrate. It is demonstrated that gaps of up to 1eV can be formed for experimentally…
We perform a systematic first-principles study of phosphorene in the presence of typical monovalent (hydrogen, fluorine) and divalent (oxygen) impurities. The results of our modeling suggest a decomposition of phosphorene into weakly bonded…
We study the band structure and transport property of a zigzag silicene nanoribbon when the electric fields are applied to the edges. It is found that a band bending could be induced and controlled by the antisymmetric edge fields, which…
Armchair phosphorene nanoribbons (APNRs) are known to be semiconductors with an indirect bandgap. Here, we propose to introduce new states in the gap of APNRs by creating a periodic structure of vacancies (antidots). Based on the…