相关论文: Valence-band mixing in first-principles envelope-f…

The electronic band structure of graphene in the presence of spin-orbit coupling and transverse electric field is investigated from first principles using the linearized augmented plane-wave method. The spin-orbit coupling opens a gap at…

In the first-principles bulk-layer model the superlattice structure and polarization are determined by first-principles computation of the bulk responses of the constituents to the electrical and mechanical boundary conditions in an…

We propose the 14-band $\mathbf k \cdot \mathbf p$ model to calculate spin-orbit splittings of the valence subbands in semiconductor quantum wells. The reduced symmetry of quantum well interfaces is incorporated by means of additional terms…

Magic angle twisted bilayer graphene (MATBG) hosts narrow moir\'e bands with meV-scale energy splittings, making its correlated phases sensitive to both material parameters and modeling choices in low-energy downfolding. We develop an ab…

We propose a realization of an extended Bose-Hubbard model, which takes into account next-nearest-neighbor tunneling, by one-dimensional double-well optical superlattice with a resonance between s and p orbitals in the neighboring sites.…

A model of a clean two-band s-wave superconductor with cylindrical Fermi surfaces, different Fermi velocities v_{1,2}, and a general 2x2 coupling matrix V_{alpha beta} is used to study the order parameter distribution in vortex lattices.…

The Kohn-Luttinger envelope-function method is generalized to the case of heterostructures with atomically sharp heterojunctions based on lattice-matched layers of related semiconductors with zinc-blende symmetry. For electron states near…

We theoretically study the propagation of sound waves in GaAs/AlAs superlattices focussing on periodic modes in the vicinity of the band gaps. Based on analytical and numerical calculations, we show that these modes are the product of a…

In a concurrent work, Villois et al. 2020 reported the evidence that vortex reconnections in quantum fluids follow an irreversible dynamics, namely vortices separate faster than they approach; such time-asymmetry is explained by using…

The honeycomb lattice sets the basic arena for numerous ideas to implement electronic, photonic, or phononic topological bands in (meta-)materials. Novel opportunities to manipulate Dirac electrons in graphene through band engineering arise…

The application of quasiperiodic AlGaAs superlattices as a nonlinear element of the FitzHugh-Nagumo neuromorphic network is proposed and theoretically investigated on the example of Fibonacci and figurate superlattices. The sequences of…

The emergence of the orbital degree of freedom in modern orbitronics offers a promising alternative to heavy metals for the efficient control of magnetization. In this context, identifying interfaces that exhibit orbital-momentum locking…

Van der Waals heterostructures comprise a new class of artificial materials formed by stacking atomically-thin planar crystals. Here, we demonstrate band structure engineering of a van der Waals heterostructure composed of a monolayer…

Band structures for solid rare gases (Ne, Ar) have been calculated using the GW approximation. All electron and pseudopotential ab initio calculations were performed using Gaussian orbital basis sets and the dependence of particle-hole gaps…

We consider (AlAs)_n/(GaAs)_n superlattices with random thickness fluctuations Delta-n around the nominal period n. Using three-dimensional pseudopotential plane-wave band theory, we show that (i) any amount Delta-n/n of thickness…

We develop a symmetry indicator framework to efficiently predict the topology of superlattice-induced minibands with spin-orbit coupling. Our algorithm requires input only from the parent material before the superlattice is applied. The…

We design from first principles a new type of two-dimensional metal-organic frameworks (MOFs) using phenalenyl-based ligands to exhibit a half-filled flat band of the kagome lattice, which is one of the lattice family that shows…

The problem of weakly correlated electrons on a square lattice is formulated in terms of one-loop renormalization group. Starting from the action for the entire Brillouin zone (and not with a low-energy effective action) we reduce…

The spurious states found in numerical implementations of envelope function models for semiconductor heterostructures and nanostructures have been shown to be readily removed by employing a first-order difference scheme. This approach is…

A quantum interference mechanism of the stripe phase instability in quasi one-dimensional (1D) repulsive electron system is proposed. The leading spin-charge coupling term in Landau functional is derived microscopically. It is shown that…