Related papers: Size-dependent lattice dynamics of atomically prec…
The optical extinction spectra arising from localized surface plasmon resonance in doped semiconductor nanocrystals (NCs) have intensities and lineshapes determined by free charge carrier concentrations and the various mechanisms for…
Elastic properties and internal states of isotropic sphere packings are studied by numerical simulations. Several numerical protocols to assemble dense configurations are compared. One, which imitates experiments with lubricated contacts,…
Combining dielectric crystals with mesoporous solids allows a versatile design of functional nanomaterials, where the porous host provides a mechanical rigid scaffold structure and the molecular filling adds the functionalization. Here, we…
First-principles phonon calculations along with Kohn-Sham density functional theory (DFT) is an essential tool to study the lattice dynamics, thermodynamical properties and phase-transitions of materials. The two full-Heusler compounds…
We present dynamic light scattering (DLS) measurements of soft polymethyl-methacrylate (PMMA) and polyacrylamide(PA) polymer gels prepared with trapped bodies (latex spheres or maghemite nanoparticles). We show that the anomalous…
The energetic properties of nuclear clusters inside a low-density, finite-temperature medium are studied with a Lattice Gas Model including isospin dependence and Coulomb forces. Important deviations are observed respect to the Fisher…
Nanoscale molecular systems such as DNA require an atomistic quantum treatment to accurately capture their electrical properties, owing to their small dimensions. A central challenge in modeling transport through these systems is the…
The detailed understanding of the physical parameters that determine Localized Surface Plasmon Resonances (LSPRs) is essential to develop new applications for plasmonics. A relatively new area of research has been opened by the…
An \emph{ab initio} Langevin dynamics approach is developed based on stochastic density functional theory (sDFT) within a new \emph{embedded saturated } \emph{fragment }formalism, applicable to covalently bonded systems. The forces on the…
Cerium hydride has a variety of interesting properties, including a known lattice contraction and densification with increasing hydrogen content. However, precise stoichiometric control is not experimentally straightforward and {\it ab…
The lattice dynamics in substitutional disordered alloys with constituents having large size differences is driven by strong disorder in masses, inter-atomic force constants and local environments. In this letter, a new first-principles…
Quantum Chromodynamics constitutes the quantum field theory of the strong interaction. Despite the success of this theory in the description of several hadronic processes, the elastic scattering is still a theoretical challenge. This…
If the structure of spacetime is discrete, then Lorentz symmetry should only be an approximation, valid at long length scales. At finite lattice spacings there will be small corrections to the Dirac evolution that could in principle be…
The purpose of this research is to study laser dynamics of InAs/GaAs Quantum Dot Lasers (QDLs) by changing QD energy levels. To date, most of the investigations have focused on only one of these circumstances, and hardly the result of…
We have studied the electronic structure of CdS/ZnSe coupled quantum dot, a novel heterostructure at the nano-scale. Our calculations reveal CdS/ZnSe coupled quantum dots to be of type-II in nature where the anion-p states play an important…
We present a comprehensive investigation of the size-dependent switching characteristics and spin wave modes of FePt nanoelements. Curved nanomagnets ("caps") are compared to flat disks of identical diameter and volume over a size range of…
This study presents a comprehensive computational investigation of the vibration density of states (VDOS) of a silica nanopore, systematically evaluating a range of force fields against inelastic neutron scattering results. We analyze the…
One of the greatest challenges when designing new technologies that make use of non-trivial quantum materials is the difficulty associated with predicting material-specific properties, such as critical temperature, gap parameter, etc. There…
We quantitatively investigate the quark mass dependence of current matrix elements and energies, calculated over a wide range of quark masses in the continuum limit of small-volume quenched lattice QCD. By a precise comparison of these…
We overcome the diffraction limit in fluorescence imaging of neutral atoms in a sparsely filled one-dimensional optical lattice. At a periodicity of 433 nm, we reliably infer the separation of two atoms down to nearest neighbors. We observe…