Related papers: Study of anharmonicity in Zirconium Hydrides using…
We consider several aspects of high-order harmonic generation in solids: the effects of elastic and inelastic scattering; varying pulse characteristics; and inclusion of material-specific parameters through a realistic band structure. We…
The experimental characterization of scattering resonances in low energy collisions has proven to be a stringent test for quantum chemistry calculations. Previous measurements on the NO-H$_2$ system at energies down to $10$ cm$^{-1}$…
In the present work, we consider the self-focusing discrete nonlinear Schrodinger equation on hexagonal and honeycomb lattice geometries. Our emphasis is on the study of the effects of anisotropy, motivated by the tunability afforded in…
The azimuthal cos{\phi} and cos2{\phi} modulations of the distribution of hadrons produced in unpolarized semi-inclusive deep-inelastic scattering of electrons and positrons off hydrogen and deuterium targets have been measured in the…
A review of recent experimental and theoretical studies of characteristics of neutrino deep-inelastic scattering is presented. Special attentition is paid to the determination of $\alpha_s$ and $1/Q^2$ non-perturbative effects from QCD fits…
We explicitly consider both phonon energy shifts and broadening arising from both cubic and quartic anharmonicities, as well as diagonal/non-diagonal terms of heat flux operators in thermal conductivity. Our findings show that the strong…
Anharmonicity of the inter-atomic potential is taken into account for the quantitative simulation of the conduction and valence band offsets for highly-strained semiconductor heterostructures. The anharmonicity leads to a weaker compressive…
In the present work, the atomic and the electronic structures of Au3N, AuN and AuN2 are investigated using first-principles density-functional theory (DFT). We studied cohesive energy vs. volume data for a wide range of possible structures…
The utilisation of semiconductor materials as detectors and devices operating in high radiation environments, at the future particle colliders, in space applications or in medicine and industry, necessitates to obtain radiation harder…
Neutrons have played an important role in advancing our understanding of the pairing mechanism and the symmetry of the superconducting energy gap in the iron arsenide compounds. Neutron measurements of the phonon density-of-state are in…
We consider the elastic scattering of electrons by hydrogen atoms in the presence of a two-color circularly polarized laser field in the domain of moderate intensities below $10^{13}$ W/cm$^2$ and high projectile energies. A hybrid approach…
Detailed understanding of vibrational heat transfer mechanisms between solids is essential for the efficient thermal engineering and control of nanomaterials. We investigate the frequency dependence of anharmonic scattering and interfacial…
We study the decoherence of a system of $N$ non-interacting heavy particles (atoms) due to coherent scattering with a background gas. We introduce a framework for computing the induced phase shift and loss of contrast for arbitrary…
A theoretical study has been carried out to analyse the available results from the inelastic neutron scattering experiment performed on a quasi-two dimensional spin-1/2 ferromagnetic material $K_2CuF_4$. Our formalism is based on a…
The thermodynamical ground-state properties and static response in both cold atoms at or close to unitarity and neutron matter are determined using a recently proposed Density Functional Theory (DFT) based on the s-wave scattering length…
We use vibrational dynamical mean-field theory (VDMFT) to study the vibrational structure of type-I clathrate solids, specifically X$_8$Ga$_{16}$Ge$_{30}$, where X=Ba,Sr. These materials are cage-like chemical structures hosting loosely…
Incoherent bremsstrahlung by high-energy particles in crystal is due to the thermal spread of atoms in relation to their equilibrium positions in the lattice. The simulation procedure developed earlier for the incoherent radiation is…
Azurite, a natural mineral made up of CuO chains, is also an intriguing spin-1/2 quantum magnet. There has been much debate as to the 1-dimensional (1D) nature of this material by theorists and experimentalists alike. The focus of this…
The ambient-temperature high-pressure behaviour of (La0.2Nd0.2Sm0.2Gd0.2Yb0.2)2Zr2O7 zirconate (HEZ) nanopowders with three different average particle sizes (~25nm, ~45 nm and ~ 68nm) were studied using synchrotron X-ray diffraction…
The amorphous solids can be theoretically modeled by anharmonic disordered lattices. However, most of theoretical studies on thermal conductivity in anharmonic disordered lattices only focus on the potentials of hard-type (HT)…