Related papers: Ab initio Calculations of the Interface States of …
Owing to the interaction between the layers, the twisted bilayer two-dimensional materials exhibit numerous unique optical and electronic properties different from the monolayer counterpart, and have attracted tremendous interests in…
In the present work, first-principles calculations based on the density functional theory (DFT), GW approximation and Bethe-Salpeter equation (BSE) are performed to study the electronic and optical properties of penta-graphene (PG)…
One- and two-layer graphene have recently been shown to feature new physical phenomena such as unconventional quantum Hall effects and prospects of supporting a non-silicon technological platform using epitaxial graphene. While both one-…
Two-dimensional problem of evanescent wave scattering by dielectric or metallic cylinders near the interface between two dielectric media is solved numerically by boundary integral equations method. A special Green function was proposed to…
In an extension of Fischera & Martin (2012a) and Heitsch (2013), two aspects of the evolution of externally pressurized, hydrostatic filaments are discussed. (a) The free-fall accretion of gas onto such a filament will lead to filament…
Valley-dependent topological physics offers a promising avenue for designing nanoscale devices based on gapless single-layer graphene. To demonstrate this potential, we investigate an electrical bias-controlled topological discontinuity in…
The water/electrode interface under an applied bias potential is a challenging out-of-equilibrium phenomenon, which is difficult to accurately model at the atomic scale. In this study, we employ a combined approach of Density Functional…
The effect of interfaces and confinement in polymer ferroelectric structured is discussed. Results on confinement under different geometries are presented and the comparison of all of them allows to evidence that the presence of an…
A model of two Calogero-Sutherland Bose gases A and B with strong odd-wave AB attractions induced by a p-wave AB Feshbach resonance is studied. The ground state wave function is found analytically by a Bose-Bose duality mapping, which…
We examine the possibility of Bose-Einstein condensation in one-dimensional interacting Bose gas subjected to confining potentials of the form $V_{\rm ext}(x)=V_0(|x|/a)^\gamma$, in which $\gamma < 2$, by solving the Gross-Pitaevskii…
Joint ground states of two directed polymers in a random medium are investigated. Using exact min-cost flow optimization the true two-line ground-state is compared with the single line ground state plus its first excited state. It is found…
We consider a two-dimensional model of a porous medium where circular grains are uniformly distributed in a squared container. We assume that such medium is partially filled with water and that the stationary interface separating the water…
Structure of the intermediate state in type-I superconducting lead (Pb) is shown to be very sensitive to the ramp rate of an applied magnetic field. The configurations of resulting static patterns depend sensitively on the shape of the…
We consider a stiff polymer chain in poor solvent and apply a force at one end of the chain. We find that by varying the stiffness parameter, polymer undergoes a transition from the globule state to the folded like state. The conformation…
Polymer chains decorated with a fraction of monomers capable of forming reversible bonds form transient polymer networks that are important in soft and biological systems. If chains are flexible and the attractive monomers are all of the…
The first part of this article centers on the fact that key features of the dynamical response of weakly-correlated materials (the alkalis, Al), have been found experimentally to differ qualitatively from simple-model behavior. In the…
We theoretically study emergent edge and corner states in monolayer blue phosphorus (blue phosphorene) using the first-principles calculation and tight-binding model. We show that the existence of the Wannier orbitals at every bond center…
The one-dimensional extended Peierls-Hubbard model is studied at several band fillings using the density matrix renormalization group method. Results show that the ground state evolves from a Mott-Peierls insulator with a correlation gap at…
The Fulde-Ferrell (FF) superfluid phase, in which fermions form finite-momentum Cooper pairings, is well studied in spin-singlet superfluids in past decades. Different from previous works that engineer the FF state in spinful cold atoms, we…
A new method to quantify fluctuations in the initial state of heavy ion collisions is presented. The initial state energy distribution is decomposed with a set of orthogonal basis functions which include both angular and radial variation.…