Related papers: Relaxation and Its Effects on Electronic Structure…
Engineering moir\'e superlattices in van der Waals heterostructures provides fundamental control over emergent electronic, structural, and optical properties allowing to affect topological and correlated phenomena. This control is achieved…
Understanding mechanisms for energy dissipation from nanoparticles in contact with large samples is a central problem in describing friction microscopically. Calculation of the reduced density matrix appears to be the most suitable metho to…
This paper presents an analytical framework, based on Floquet modal expansions of the electromagnetic fields and equivalent circuits, to model reconfigurable metasurfaces loaded with generic lumped elements (resistors, capacitors,…
We study the effects of insulating oxides in their crystalline forms on the energy band structure of monolayer and bilayer graphene using a \textit{first principles} density functional theory based electronic structure method and a local…
We describe a broadly-applicable theory of spin relaxation in materials with incoherent charge transport; examples include amorphous inorganic semiconductors, organic semiconductors, quantum dot arrays, and systems displaying…
Lattice deformations in graphene couple to the low-energy electronic degrees of freedom as effective scalar and gauge fields. Using molecular dynamics simulations, we show that the optical component of the displacement field, i.e., the…
Odd diffusion breaks time-reversal symmetry in overdamped systems through transverse probability currents while preserving equilibrium steady states. In this work, we develop a dynamical density functional theory (DDFT) for dense…
Energy dissipation by fast crystalline defects takes place mainly through the resonant interaction of their cores with periodic lattice. We show that the resultant effective friction can be reduced to zero by appropriately tuned acoustic…
This article present the double-periodical lattice made of infinite elastic fibers that withstand bending and tension. The model describes the elastic properties of flat periodic structure. With this model the behavior of a two-dimensional…
Graphene extraordinary strength, stiffness and lightness have generated great expectations towards its application in flexible electronics and as mechanical reinforcement agent. However, the presence of lattice defects, unavoidable in…
The behavior of electrons in strained graphene is usually described using effective pseudomagnetic fields in a Dirac equation. Here we consider the particular case of a spatially constant strain. Our results indicate that lattice…
This paper presents an electromechanical analysis of the nonlinear static response and the superimposed small-amplitude wave characteristics in an infinite periodic compressible dielectric elastomer (DE) laminate subjected to electrostatic…
A system of soft ellipsoid molecules confined between two planar walls is studied using classical Density Functional Theory (DFT). Both the isotropic and nematic phases are considered. The excess free energy is evaluated using two different…
In this paper a geometric field theory of dislocation dynamics and finite plasticity in single crystals is formulated. Starting from the multiplicative decomposition of the deformation gradient into elastic and plastic parts, we use…
Three-dimensional lattices are fundamental to solid-state physics. The description of a lattice with an atomic basis constitutes the necessary information to predict solid phase properties and evolution. Here, we present a new algorithm for…
Correlation functions in one-dimensional complex scalar field theory provide a toy model for phase fluctuations, sign problems, and signal-to-noise problems in lattice field theory. Phase unwrapping techniques from signal processing are…
In twisted bilayer graphene (TBG), a twist-angle-dependent competition between interlayer stacking energy and intralayer elastic energy results in flat rigid layers at large twist angles and lattice reconstruction at small twist angles.…
Heterogeneous interfaces are central to many energy-related applications in the nanoscale. From the first-principles electronic structure perspective, one of the outstanding problems is accurately and efficiently calculating how the…
We present an analytical and numerical study of a nonlinear diffusion model which describes density relaxation of loosely packed particles under gravity and weak random (thermal) vibration, and compare the results with Monte Carlo…
We explore the rotational degree of freedom between graphene layers via the simple prototype of the graphene twist bilayer, i.e., two layers rotated by some angle $\theta$. It is shown that, due to the weak interaction between graphene…