相关论文: Correlation between stress and band shift on late …
We have extended the validity of the correlation between the surface 3d-core-level shift (SCLS) and the surface d band shift (SDBS) to the entire 4d transition metal series and to the neighboring elements Sr and Ag via accurate…
The metal-insulator transition observed in the In/Si(111)-4x1 reconstruction is studied by means of ab initio calculations of a simplified model of the surface. Different surface bands are identified and classified according to their origin…
The reconstruction mechanism of (001) fcc transition metal surfaces is investigated using a full-potential all-electron electronic structure method within density-functional theory. Total-energy supercell calculations confirm the…
We study the origin of layer dependence in band structures of two-dimensional materials. We find that the layer dependence, at the density functional theory (DFT) level, is a result of quantum confinement and the non-linearity of the…
We measure the local yield stress, at the scale of small atomic regions, in a deeply quenched two-dimensional glass model undergoing shear banding in response to athermal quasistatic (AQS) deformation. We find that the occurrence of…
We developed a Landau type theory for the description of polar phenomena in low-dimensional transition metal dichalcogenides (TMDs), specifically exploring flexoelectric origin of the polarization induced by a spontaneous bending and by…
Amorphous solids increase their stress as a function of an applied strain until a mechanical yield point whereupon the stress cannot increase anymore, afterwards exhibiting a steady state with a constant mean stress. In stress controlled…
The origin of rigidity in disordered materials is an outstanding open problem in statistical physics. Previously, a class of 2D cellular models has been shown to undergo a rigidity transition controlled by a mechanical parameter that…
We explore an efficient way to numerically evaluate the response of the surface stress of a metal to changes in its superficial charge density by analysis of the strain-dependence of the work function of the uncharged surface. As an…
Metallic materials under high stress often exhibit deformation localization, manifesting as slip banding. Over seven decades ago, Frank and Read introduced the well-known model of dislocation multiplication at a source, explaining slip band…
Despite considerable interest in layered transition metal dichalcogenides (TMDs), such as MX2 with M = (Mo, W) and X = (S, Se, Te), the physical origin of their topological nature is still poorly understood. In the conventional view of…
The chemical bonding of adsorbate molecules on transition-metal surfaces is strongly influenced by the hybridization between the molecular orbitals and the metal d-band. The strength of this interaction is often correlated with the location…
A rectangular thin elastic sheet is deformed by forcing a contact between two points at the middle of its length. A transition to buckling with stress focusing is reported for the sheets sufficiently narrow with a critical width…
Graphene layers are stable, hard, and relatively inert. We study how tensile stress affects $\sigma$ and $\pi$ bonds and the resulting change in the chemical activity. Stress affects more strongly $\pi$ bonds that can become chemically…
We investigate a simplified continuum model of a twisted homotrilayer TMD with negligible next-nearest layer couplings. We systematically analyze band structure and topology of various stacking configurations in a twist angle range from…
In the experiments on stress-induced phase transitions in SMA strips, several interesting instability phenomena have been observed, including a necking-type instability, a shear-type instability and an orientation instability. By using the…
A stress-induced stripe phase of submonolayer Pd on W(110) is observed by low-energy electron microscopy. The temperature dependence of the pattern is explained by the change both in the boundary free energy and elastic relaxation energy…
Iron-based superconductors offer an ideal platform for studying topological superconductivity and Majorana fermions. In this paper, we carry out a comprehensive study of the band topology and topological surface states of a number of…
Systematic experiments on stress-induced phase transitions in thin SMA structures in literature have revealed two interesting instability phenomena: the coalescence of two martensite-austenite fronts leads to a sudden stress drop and that…
Amorphous solids display a ductile to brittle transition as the kinetic stability of the quiescent glass is increased, which leads to a material failure controlled by the sudden emergence of a macroscopic shear band in quasi-static…