Related papers: Impurity effects on the melting of Ni clusters
Based on an extended nuclear statistical equilibrium model, we investigate the properties of non-accreted crusts of young and warm neo-neutron stars, i.e., of finite-temperature inhomogeneous dense matter in beta equilibrium. An interesting…
The impurity is inherently manifest in cuprate superconductors, as cation substitution or intercalation is necessary for the introduction of charge carriers, and its influence on the electronic state is at the heart of a great debate in…
Using a dynamical cluster quantum Monte Carlo approximation, we investigate the effect of local disorder on the stability of d-wave superconductivity including the effect of electronic correlations in both particle-particle and…
The stability of a single-walled carbon nanotube placed on top of a catalytic nickel nanoparticle is investigated by means of molecular dynamics simulations. As a case study, we consider the $(12,0)$ nanotube consisting of 720 carbon atoms…
We investigate velocity statistics of an impurity immersed in a uniform granular fluid. An analytic solution of the inelastic Maxwell model shows that a phase transition occurs in the cooling case. Light impurities have similar velocity…
We show that the optical and electronic properties of nanocrystalline silicon can be efficiently tuned using impurity doping. In particular, we give evidence, by means of ab-initio calculations, that by properly controlling the doping with…
Quantum impurities interacting with quantum environments offer unique insights into many-body systems. Here, we explore the thermometric potential of a neutral impurity immersed in a harmonically trapped bosonic quantum gas below the…
Diffusion of impurity atoms depends on the sublattices occupied, active diffusion mechanisms, and jump frequencies to neighboring sites. The method of perturbed angular correlation of gamma rays (PAC) has been applied over the past decade…
We study the dependence of thermal conductivity of single walled nanotubes (SWNT) on chirality, isotope impurity, tube length and temperature by nonequilibrium molecular dynamics method with accurate potentials. It is found that, contrary…
We present electronic structure and transport calculations for hydrogen and lithium chains, using density functional theory and scattering theory on the Green's function level, to systematically study impurity effects on the transmission…
The effect of conduction electron interactions for an Anderson impurity is investigated in one dimension using a scaling approach. The flow diagrams are obtained by solving the renormalization group equations numerically. It is found that…
We systematically investigate the relationships between structural and electronic effects of finite size zigzag or armchair carbon nanotubes of various diameters and lengths, starting from a molecular template of varying shape and diameter,…
The electronic structures of zig-zag and arm-chair single-walled carbon nanotubes interacting with a transitional-metal atomic nanowire of Ni have been determined. The Ni nanowire creates a large electron density of states (DOS)at the Fermi…
Helium atoms and hydrogen molecules can be strongly bound inside interstitial channels within bundles of carbon nanotubes. An exploration of the low energy and low temperature properties of He-3 atoms is presented here. Recent study of the…
We study an impurity with a resonance level whose energy coincides with the Fermi energy of the surrounding Fermi gas. An impurity causes a rapid variation of the scattering phase shift for fermions at the Fermi surface, introducing a new…
Carbon nanotubes are a good realization of one-dimensional crystals where basic science and potential nanodevice applications merge. Defects are known to modify the electrical resistance of carbon nanotubes. They can be present in as-grown…
We show that the electronic and atomic structure of carbon nanotubes undergo dramatic changes with hydrogen chemisorption from first principle calculations. Upon uniform exohydrogenation at half coverage, the cross sections of zigzag…
We show that strong Luttinger correlations of the electron liquid in armchair carbon nanotubes lead to a significant enhancement of the onset temperature of the putative twist Peierls instability. The instability results in a spontaneous…
We examine the molecular dynamics of crystal growth in the presence of surface melting and surface impurities, and from this propose a detailed microscopic model for the growth of ice from the vapor phase. Our model naturally accounts for…
The classical theory of grain nucleation suffers from both theoretical and predictive deficiencies. We strive to alleviate these deficiencies in our understanding of dust formation and growth by utilizing an atomistic model of nucleation.…