相关论文: Local lattice potentials and steady-state vacancie…

An optimized interatomic potential has been constructed for silicon using a modified Tersoff model. The potential reproduces a wide range of properties of Si and improves over existing potentials with respect to point defect structures and…

Prediction of high-$T_{\rm{c}}$ superconductivity in hole-doped Li$_x$BC two decades ago has brought about an extensive effort to synthesize new materials with honeycomb B-C layers, but the thermodynamic stability of Li-B-C compounds…

We study numerically formation of spatial optical solitons in nematic liquid crystals with competing nonlocal nonlinearities. We demonstrate that at the sufficiently high input power the interplay between focusing and thermally induced…

Bulk properties of ionic liquid crystals are investigated using density functional theory. The liquid crystal molecules are represented by ellipsoidal particles with charges located in their center or at their tails. Attractive interactions…

It is suggested that the spectrum of ion site energies in glasses exhibits a band gap, establishing an analogy between ion conducting glasses and intrinsic semiconductors. This implies that ion conduction in glasses takes place via…

Surface-states of topological insulators are assumed to be robust against non-magnetic defects in the crystal. However, recent theoretical models and experiments indicate that even non-magnetic defects can perturb these states. Our…

We discuss localized ground states of Bose-Einstein condensates in optical lattices with attractive and repulsive three-body interactions in the framework of a quintic nonlinear Schr\"odinger equation which extends the Gross-Pitaevskii…

We prove the existence of exponentially localised and time-periodic solutions in general nonlinear Hamiltonian lattice systems. Like normal modes, these localised solutions are characterised by collective oscillations at the lattice sites…

Using density functional theory within the local density approximation we report a study of the electron-phonon coupling in NbC$_{1-x}$N$_x$ and NbN crystals in the rocksalt structure. The Fermi surface of these systems exhibits important…

LiBO$_{2}$ is an electronic insulator and a promising surface coating for stabilizing high-voltage cathodes in lithium-ion batteries. Despite its potential, the functional mechanisms of this coating remain unclear, particularly the…

Crystalline $\rm Bi_2Se_3$ is one of the most explored three-dimensional topological insulator, with a $0.3\;\rm eV$ energy gap making it promising for applications. Its amorphous counterpart could bring to light new possibilities for large…

The energy spectrum of vacancies in n-type bulk crystals of undoped arsenides: InAs, GaAs, CdSnAs2 and CdGeAs2 has been investigated upon the data on pressure and temperature dependences of kinetic coefficients. It is concluded, that deep…

We study the stability of non-Abelian semi-local vortices based on an N=2 supersymmetric H = [SU(Nc) x U(1)]/Z_Nc = U(Nc) gauge theory with an arbitrary number of flavors (Nf > Nc) in the fundamental representation, when certain N=1 mass…

In a semiconductor superlattice with long scattering times, damping of Bloch oscillations due to scattering is so small that convective nonlinearities may compensate it and Bloch oscillations persist even in the hydrodynamic regime. In this…

Structural defects are important for both solid-state chemistry and physics, as they can have a significant impact on chemical stability and physical properties. Here, we identify a vacancyinduced pseudo-gap formation in antiferromagnetic…

Employing the first-principles computations based on the density functional theory (DFT), we have investigated the structural, mechanical, electronic, bonding, optical and thermodynamics properties of newly discovered bulk superconductors…

Electrides are special ionic solids with excess cavity-trapped electrons serving as anions. Despite the extensive studies on electrides, the interplay between electrides and magnetism is not well understood due to the lack of stable…

The effects of long-range anisotropic elastic deformations on electronic structure in superconductors are analyzed within the framework of the Bogoliubov-de Gennes equations. Cases of twin boundaries and isolated defects are considered as…

The spatial distribution of the internal pressure of an electron fluid, which spontaneously arises at the formation of a molecule or a crystal, is linked to the main features of chemical bonding in molecular crystals. The local pressure is…

We propose and study theoretically a new mechanism of electron-impurity scattering in doped seminconductors with large dielectric constant. It is based upon the idea of \textit{vector} character of deformations caused in the crystalline…