Related papers: Adatom-induced dislocation annihilation in epitaxi…
Structure of monolayers built during adsorption process is strongly related to the properties of adsorbed particles. The most important factor is their shape. For example, adsorption of elongated molecules on patterned surfaces may produce…
Strain and rotation fields of dislocations in monolayer graphene have been mapped in a recent experiment. These fields are finite everywhere and differ from those given by linear elasticity which does not consider rotation explicitly and…
Motivated by recent experiments on the supersolid behavior of $^4$He, we study the effect of an edge dislocation in promoting superfluidity in a Bose crystal. Using Landau theory, we couple the elastic strain field of the dislocation to the…
The growth of the $\sqrt{3} \times \sqrt{3}$ reconstructed silicene on Ag substrate has been frequently observed in experiments while its atomic structure and formation mechanism is poorly understood. Here by first-principles calculations…
Silicene monolayers grown on Ag(111) surfaces demonstrate a band gap that is tunable by oxygen adatoms from semimetallic to semiconducting type. By using low-temperature scanning tunneling microscopy, it is found that the adsorption…
Large-area and high-quality single-layer transition metal dichalcogenides can be synthesized by epitaxial growth on single-crystal substrates. An important advantage of this approach is that the interaction between the single-layer and the…
Dislocations, line defects in crystalline materials, play an essential role in the mechanical[1,2], electrical[3], optical[4], thermal[5], and phase transition[6] properties of these materials. Dislocation motion, an important mechanism…
In this study the growth process of epitaxial graphene on SiC was investigated systematically. The transition from the initial buffer layer growth to the formation of the first monolayer graphene domains was investigated by various…
Silicon-Germanium (Si$_{1-x}$Ge$_x$) layers are commonly used as stressors in the gate of MOSFET devices. They are expected to introduce a beneficial stress in the drift and channel regions to enhance the electron mobility. When reducing…
Defects and their interactions in crystalline solids often underpin material properties and functionality as they are decisive for stability, result in enhanced diffusion, and act as a reservoir of vacancies. Recently, lithium-rich layered…
A new silicene-like family of reconstructed surfaces on Si111 are discussed which appears to be a polymorph to the well know family of surface reconstructions best epitomized by the 7x7 surface. Several experimental features are discussed…
The continuum theory of dislocations, as developed predominantly by Kr\"oner and Kosevich, views each dislocation as a source of incompatibility of strains. We show that this concept can be employed efficiently in the Landau free energy…
Research in the field of Materials Science and Engineering focuses on the design, synthesis, properties, and performance of materials. An important class of materials that is widely investigated are crystalline materials, including metals…
Employing density functional theory calculations we explore initial stage of competitive alloying of co-deposited silver and indium atoms into a silicon surface. Particularly, we identify respective adsorption positions and activation…
Stripe domains are studied in perpendicular magnetic anisotropy films nanostructured with a periodic thickness modulation that induces the lateral modulation of both stripe periods and inplane magnetization. The resulting system is the 2D…
Based on the first-principles plane wave calculations, we studied the functionalization of the two-dimensional single layer MoS$_2$ structure via adatom adsorption and vacancy defect creation. Minimum energy adsorption sites are determined…
The paper presents a study of two full-core, edge dislocations of opposite Burgers vectors in 4H-SiC, conducted using the first-principles density functional theory methods. We have determined the creation energy of the dislocations as a…
Epitaxial growth has become a promising route to achieve highly crystalline continuous two-dimensional layers. However, high-quality layer production with expected electrical properties is still challenging due to the defects induced by the…
SnTe belongs to the recently discovered class of topological crystalline insulators. Here we study the formation of line defects which break crystalline symmetry by strain in thin SnTe films. Strained SnTe(111) films are grown by molecular…
Transition-metal chalcogenides (TMCs) materials have attracted increasing interest both for fundamental research and industrial applications. Among all these materials, two-dimensional (2D) compounds with honeycomb-like structure possess…