Related papers: Dislocation structure and mobility in the layered …
Crystalline materials, such as metals and semiconductors, nearly always contain a special defect type called dislocation. This defect decisively determines many important material properties, e.g., strength, fracture toughness, or…
The two-dimensional (2D) semiconductor indium selenide (InSe) has attracted significant interest due its unique electronic band structure, high electron mobility and wide tunability of its band gap energy achieved by varying the layer…
The Peierls stress of the a/2<110> screw dislocation belonging to the shuffle set is calculated for silicon using density functional theory. We have checked the effect of boundary conditions by using two models, the supercell method where…
Incomplete stacking dislocations are predicted to form at edges of the shorter upper layer in two-dimensional hexagonal bilayers upon stretching the longer bottom layer. A concept of the edge Burgers vector is introduced to describe such…
Dissipative models for the quasi-static and dynamic response due to slip in an elastic body containing a single slip plane of vanishing thickness are developed. Discrete dislocations with continuously distributed cores can glide on this…
We investigate the spin and charge densities of surface states of the three-dimensional topological insulator $Bi_2Se_3$, starting from the continuum description of the material [Zhang {\em et al.}, Nat. Phys. 5, 438 (2009)]. The spin…
Tetradymite-structured chalcogenides such as bismuth telluride Bi_{2}Te_{3} are of significant interest for thermoelectric energy conversion and as topological insulators. Dislocations play a critical role during synthesis and processing of…
Van der Waals materials offer a wide range of atomic layers with unique properties that can be easily combined to engineer novel electronic and photonic devices. A missing ingredient of the van der Waals platform is a two-dimensional…
We investigate the effect of a crystal edge dislocation on the metallic surface of a Topological Insulator. The edge dislocation gives rise to torsion which the electrons experience as a spin connection. As a result the electrons propagate…
In this paper we analyze the structure, phase transitions and some transport properties of the vortex system when the external magnetic field lies parallel to the planes in layered superconductors. We show that experimental results for…
We investigate the band dispersion and the spin texture of topologically protected surface states in the bulk topological insulators Bi2Se3 and Bi2Te3 by first-principles methods. Strong spin-orbit entanglement in these materials reduces…
Common belief is that the large band shifts observed in incommensurate misfit compounds, e.g. (LaSe)1.14(NbSe2)2, are due to interlayer charge transfer. In contrast, our analysis, based on both ARPES measurements and a specialized ab initio…
Quasicrystals (QCs) are a class of aperiodic ordered structures that emerge in various systems, from metallic alloys to soft matter and driven non-equilibrium systems. Within a mesoscale theory based on slowly-varying complex amplitudes for…
We report an unexpected characteristic of dislocation cores in silicon. Using first-principles calculations, we show that all the stable core configurations for a non-dissociated 60$^\circ$ dislocation are sessile. The only glissile…
Dislocations corresponding to a change of stacking in two-dimensional hexagonal bilayers, graphene and boron nitride, and associated with boundaries between commensurate domains are investigated using the two-chain Frenkel-Kontorova model…
We study elementary semiconductors and insulators that are symmetric under spatial inversion: silicon, diamond, germanium, and black phosphorene. These materials are ideal candidates for realizing obstructed atomic insulators, which differ…
Mechanical deformation of nanopillars displays features that are distinctly different from the bulk behavior of single crystals: Yield strength increases with decreasing size and plastic deformation comes together with strain bursts or/and…
We report on the vertical electron mobility versus temperature by applying the interface roughness scattering and ionized impurity scattering in InAs/GaSb superlattices. Using the Finite difference K.P method, we calculated the band…
In the framework of a Frenkel-Kontorova-like model, we address the robustness of the superlubricity phenomenon in an edge-driven system at large scales, highlighting the dynamical mechanisms leading to its failure due to the slider…
We analyse the equilibrium pile-up configurations of infinite periodic walls of edge dislocations which are forced against an impenetrable obstacle by a constant applied shear stress. Numerically generated density distributions exhibit two…