Related papers: Schwoebel barriers on Si(111) steps and kinks
Motivated by the recent investigations on instabilities caused by Schwoebel barriers during growth and their effects on growth or sublimation by step flows, we have investigated, using the Stillinger-Weber potential, how this step edge…
We study the behavior of single atoms on an infinite vicinal surface assuming certain degree of step permeability. Assuming complete lack of re-evaporation an ruling out nucleation the atoms will inevitably join kink sites at the steps but…
As it is well known there may arise situations when an interaction between electrons is attractive. A weak attraction should manifest itself strongly in 1D systems, since it can create two-electron bound states. This paper interprets the…
Energy barriers for different moves of a single Rh adatom in the vicinity of steps on Rh(111) surface are studied with molecular statics. Interatomic interactions are modeled by the semi-empirical many-body Rosato-Guillope-Legrand…
Potential steps exceeding 1 eV are regularly formed at metal|insulator interfaces, even when the interaction between the materials at the interface is weak physisorption. From first-principles calculations on metal|h-BN interfaces we show…
We present first-principles calculations of Schottky barrier heights (SBHs) at interfaces relevant for silicon-based merged-element transmon qubit devices. Focusing on Al(111)/Si(111) and CoSi$_2$(111)/Si(111), we consider various possible…
We theoretically analyse the equation of topological solitons in a chain of particles interacting via a repulsive power-law potential and confined by a periodic lattice. Starting from the discrete model, we perform a gradient expansion and…
We study the collision of a kink and an antikink in the double sine-Gordon model with and without the excited vibrational mode. In the latter case, we find that there is a limited range of the parameters where the resonance windows exist,…
We formulate the three-body problem in one dimension in terms of the (Faddeev-type) integral equation approach. As an application, we develop a spinless, one-dimensional (1-D) model that mimics three-nucleon dynamics in one dimension. Using…
Theoretical calculations of the structure, formation and migration of kinks on a non-dissociated screw dislocation in silicon have been carried out using density functional theory calculations as well as calculations based on interatomic…
We investigate the physics of the core reconstruction and associated structural excitations (reconstruction defects and kinks) of dislocations in silicon, using a linear-scaling density-matrix technique. The two predominant dislocations…
We demonstrate how a toroidal Bose-Einstein condensate with a movable barrier can be used to realize an atomtronic SQUID. The magnitude of the barrier height, which creates the analogue of an SNS junction, is of crucial importance, as well…
The recombination of Frenkel pairs resulting from low energy recoils in 3C-SiC has been investigated using first principles and Nudged Elastic Band calculations. Several recombination mechanisms have been obtained, involving direct…
The Moebius energy of a knot is an energy functional for smooth curves based on an idea of self-repelling. If a knot has a thick tubular neighborhood, we would intuitively expect the energy to be low. In this paper, we give explicit bounds…
The quasistatic approximation is a useful but questionable simplification for analyzing step instabilities during the growth/evaporation of vicinal surfaces. Using this approximation, we characterized in Part I of this work the effect on…
(001) Si spin qubits are being intensively studied because they have structures similar to that of CMOS devices currently being produced, and thus have the advantage of utilizing state-of-the-art miniaturization, integration, and…
For a single potential barrier, the barrier penetrability can be inverted based on the WKB approximation to yield the barrier thickness. We apply this method to heavy-ion fusion reactions at energies well below the Coulomb barrier and…
Proteins with nontrivial topology, containing knots and slipknots, have the ability to fold to their native states without any additional external forces invoked. A mechanism is suggested for folding of these proteins, such as YibK and…
The sub-barrier fusion excitation functions are measured for the first time for the system $^7$Li +$^{28}$Si by the characteristic $\gamma$-ray method in the energy range $E_{lab}$= 7-11.5 MeV. The results show an enhancement, below the…
Point defects such as interstitial atoms are known to be attracted to screw dislocations. Understanding these interaction mechanisms is key to predicting the plasticity of real materials. Using a new machine learning interatomic potential…