Related papers: Diffusion and desorption of SiH3 on hydrogenated H…
Boundary scattering in hierarchically disordered nanomaterials is an effective way to reduce the thermal conductivity of thermoelectric materials and increase their performance. In this work we investigate thermal transport in silicon based…
We study a thin film growth model with temperature activated diffusion of adsorbed particles, allowing for the formation of overhangs and pores, but without detachment of adatoms or clusters from the deposit. Simulations in one-dimensional…
Hot wall technique was used to grow block single crystal films of Bi_2Te_3 and solid solutions of Bi_(0.5)Sb_(1.5)Te_3 on mica (muscovite) substrates. X-ray diffraction studies demonstrated that the crystalline c-axis in the films was…
We study the transport properties of a system of active particles moving at constant speed in an heterogeneous two-dimensional space. The spatial heterogeneity is modeled by a random distribution of obstacles, which the active particles…
The dynamics of amorphous silicon at low temperatures can be characterized by a sequence of discrete activated events, through which the topological network is locally reorganized. Using the activation-relaxation technique, we create more…
First principle computer simulations of a thin parahydrogen film adsorbed on a silica substrate at low temperature (below 6 K) yield no evidence that the top layer is liquid and/or in the proximity of a superfluid transition, as claimed in…
First-principles molecular dynamics simulations have been employed to analyze the proton diffusion in cubic BaZrO3 perovskite at 1300K, and a non-linear effect of an applied isometric strain of 2% on the lattice parameter has been observed.…
The absorption of thin hydrogenated amorphous silicon layers can be efficiently enhanced through a controlled periodic patterning. Light is trapped through coupling with photonic Bloch modes of the periodic structures, which act as an…
Hydrogen is a promising element for applications in new energy sources like fuel cells. One key issue for such applications is storing hydrogen. And, to improve storage capacity, understanding the interaction mechanism between hydrogen and…
We present the findings of the superconductivity in the silicon nanostructures prepared by short time diffusion of boron after preliminary oxidation of the n-type Si (100) surface. These Si-based nanostructures represent the p-type high…
Thick (~50 nm) films of Hf were evaporated onto bare and oxidized Si(001) samples, and thin (~monolayer) films of Hf were evaporated onto clean Si(001)-(2x1) surfaces. Upon annealing to 1000$^/circ$C, films of HfSi2 were formed after…
The stability of interfaces and the mechanisms of thin film growth on semiconductors are issues of central importance in electronic devices. These issues can only be understood through detailed study of the relevant microscopic processes.…
We study a system of particles which jump on the sites of the interval $[1,L]$ of $\mathbb Z$. The density at the boundaries is kept fixed to simulate the action of mass reservoirs. The evolution depends on two parameters $\lambda'\ge 0$…
Silver released from TRISO fuel particles can migrate through the SiC layer and deposit on reactor components, posing radiation hazards and operational challenges. Despite numerous proposed mechanisms, the precise pathway of silver…
A first principles theory of inelastic tunneling between a model probe tip and an atom adsorbed on a surface is presented, extending the elastic tunneling theory of Tersoff and Hamann. The inelastic current is proportional to the change in…
Silicon (Si) is one of the most abundant elements on Earth, and it is the most important and widely used semiconductor, constituting the basis of modern electronic devices. Despite extensive study, some properties of Si remain elusive. For…
At low temperatures (10 K), hydrogen atoms can diffuse quickly on grain ice mantles and frequently encounter hydrogen molecules, which cover a notable fraction of grain surface. The desorption energy of H atoms on H2 substrates is much less…
Classical molecular-dynamics simulations have been carried out to investigate densification mechanisms in silicon dioxide thin films deposited on an amorphous silica surface, according to a simplified ion-beam assisted deposition (IBAD)…
We present ultra-shallow diffusion profiles performed by short-time diffusion of boron from the gas phase using controlled surface injection of self-interstitials and vacancies into the n-type Si(100) wafers. The diffusion profiles of this…
The simulations of field-evaporation processes for silicon atoms on various Si(001) surfaces are implemented using the first-principles calculations based on the real-space finite-difference method. We find that the atoms which locate on…