相关论文: Study of anharmonicity in Zirconium Hydrides using…

Neutrino scattering on electrons is considered as a tool for laboratory searches of the neutrino magnetic moment. We study inelastic $\bar\nu_ee^-$-scattering on electrons bound in the germanium (Z=32) and iodine (Z=53) atoms for…

Making use of first-principles calculations, we analyze the effect of quantum ionic fluctuations and lattice anharmonicity on the crystal structure and superconductivity of P63/mmc ScH6 in the 100-160 GPa pressure range within the…

Defects in crystalline silicon consisting of a silicon self-interstitial atom and one, two, three, or four hydrogen atoms are studied within density-functional theory (DFT). We search for low-energy defects by starting from an ensemble of…

Lead-free halide double perovskites provide a promising solution for the long-standing issues of lead-containing halide perovskites, i.e., the toxicity of Pb and the low stability under ambient conditions and high-intensity illumination.…

The modern S-Matrix Bootstrap provides non-perturbative bounds on low-energy aspects of scattering amplitudes, leveraging the constraints of unitarity, analyticity and crossing. Typically, the solutions saturating such bounds also saturate…

We present temperature dependent inelastic neutron scattering measurments, accompanied byab-initio calculations of phonon spectra and elastic properties as a function of pressure to understand anharmonicity of phonons and to study the…

Wave propagation and acoustic scattering problems require vast computational resources to be solved accurately at high frequencies. Asymptotic methods can make this cost potentially frequency independent by explicitly extracting the…

Hydrogen arranges at dislocations in palladium to form nanoscale hydrides, changing the vibrational spectra. An ab initio hydrogen potential energy model versus Pd neighbor distances allows us to predict the vibrational excitations for H…

Using first principles calculations we have studied the formation energies, electron and hole affinities, and electronic levels of intrinsic point defects in zircon. The atomic structures of charged interstitials, vacancies, Frenkel pairs…

The formation of precipitated zirconium (Zr) hydrides is closely related to the hydrogen embrittlement problem for the cladding materials of pressured water reactors (PWR). In this work, we systematically investigated the crystal structures…

Two-dimensional electron gasses (2DEG) in InAs quantum wells proximitized by aluminum are promising platforms for topological qubits based on Majorana zero modes. However, there are still substantial uncertainties associated with the nature…

Intermediate valence compounds containing rare earth or actinide ions are archetypal systems for the investigation of strong electron correlations. Their effective electron masses of 10 to 50 times the free electron mass result from a…

The phonon density-of-states of transition metal diborides TMB2 with TM = Ti, V, Ta, Nb and Y has been measured using the technique of inelastic neutron scattering. The experimental data are compared with ab initio density functional…

To investigate inelastic electron scattering, which is ubiquitous in various fields of study, we carry out ab initio study of the real-time dynamics of a one-dimensional electron wave packet scattered by a hydrogen atom using different…

3D Dirac semimetals with square-net non-symmorphic symmetry, such as ternary ZrXY (X=Si, Ge; Y=S, Se, Te) compounds, have attracted significant attention owing to the presence of topological nodal lines, loops, or networks in their bulk.…

We present a treatment of cold hydrogen-antihydrogen collisions based on the asymptotic properties of atom-antiatom interactions. We derive general formulas for the elastic and inelastic cross sections and for the scattering lengths and…

The role of inhomegeneity in determining the properties of correlated electron systems is poorly understood because of the dearth of structural probes of disorder at the nanoscale. Advances in both neutron and x-ray scattering…

The HERMES experiment has measured double spin asymmetries of inclusive and semi-inclusive cross sections for the production of charged hadrons in deep-inelastic scattering of polarised positrons on polarised hydrogen and deuterium targets,…

The recent discovery of coexisting ferromagnetism and superconductivity in ZrZn2, and the fact that they are simultaneously suppressed on applying pressure suggest the possibility of a pairing mechanism which is mediated by exchange…

Results from the H1 and ZEUS experiments at HERA on deep inelastic scattering are reviewed. The data lead to a consistent picture of a steep rise in the F_2 structure function and in the gluon density within the proton. Important new…