相关论文: The Atomic and Electronic Structure of Liquid N- M…

The local atomic disorder and the electronic structure in the environment of manganese atoms in LaMnO_3 has been studied by x-ray absorption spectroscopy, over a temperature range (300K to 870K) covering the orbital ordering transition…

Establishing the phase diagram of hydrogen is a major challenge for experimental and theoretical physics. Experiment alone cannot establish the atomic structure of solid hydrogen at high pressure, because hydrogen scatters X-rays only…

Neutron scattering techniques are used to investigate the crystalline and magnetic structure of LuFe$_{0.75}$Mn$_{0.25}$O$_{3}$ in bulk polycrystalline form. We find that the crystalline structure is described by the hexagonal P6$_{3}$cm…

Theory of nuclear magnetic resonance (NMR) in graphene is presented. The canonical form of the electron-nucleus hyperfine interaction is strongly modified by the linear electronic dispersion. The NMR shift and spin-lattice relaxation time…

We have constructed an approximate microscopic model for the neutron dynamic structure factor of solid methane in phase II. We expect our model to apply for neutron energies below 1\textit{eV} at pressures near 1 bar and temperatures below…

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 first study of quasi-free Compton scattering on the neutron in the energy range of $E_{\gamma}=0.75 - 1.5$ GeV is presented. The data reveals a narrow peak at $W\sim 1.685$ GeV. This result, being considered in conjunction with the…

The spectral properties of a multilevel atomic system interacting with multiple electromagnetic fields, a modified inverted-Y system, have been theoretically investigated. In this study, a numerical matrix propagation method has been…

Data for coherent photoproduction of $\pi^0$ mesons from nuclei ($^{12}$C, $^{40}$Ca, $^{93}$Nb, $^{nat}$Pb), recently measured with the TAPS detector at the Mainz MAMI accelerator, have been analyzed in view of the mass form factors of the…

We investigated the crystal structure and lattice excitations of the ternary intermetallic stannide Ca3Ir4Sn13 using neutron and x-ray scattering techniques. For T > T* ~ 38 K the x-ray diffraction data can be satisfactorily refined using…

We report a microscopic investigation of the magnetic structure and electronic properties of LaMnSi in its antiferromagnetic (AFM) state using nuclear magnetic resonance (NMR). Field-swept $^{55}$Mn- and $^{139}$La-NMR spectra, as well as…

Based on density functional theory (DFT), we performed first-principle studies on the electronic structure, magnetic state and optical properties of two-dimensional (2D) transition-metal phosphorous trichalcogenide MnPX$_3$ (X=S and Se).…

Experimental form factors of the hydrogen and helium isotopes, extracted from an up-to-date global analysis of cross sections and polarization observables measured in elastic electron scattering from these systems, are compared to…

Structure determination by chemical-shift-driven NMR crystallography relies on comparing chemical shieldings measured in solid-state NMR experiments with simulations. However, computational cost limits the accuracy of shielding predictions,…

The dense neutron-rich matter found in supernovae and neutron stars is expected to form complex nonuniform phases referred to as nuclear pasta. The pasta shapes depend on density, temperature and proton fraction and determine many transport…

We investigated CeNi9In2 compound, which has been considered as a mixed valence (MV) system. Electrical resistivity vs. temperature variation was analysed in terms of the model proposed by Freimuth for systems with unstable 4f shell. At low…

An ab initio study of magnetic exchange interactions in antiferromagnetic and strongly correlated 3d transition metal monoxides is presented. Their electronic structure is calculated using the local self-interaction correction approach,…

The electronic structure of materials is fundamentally governed by their crystal symmetry. While most research on two-dimensional materials has focused on hexagonal lattices, such as graphene, hexagonal boron nitride, and transition metal…

A deep understanding of molecular photo-transformations is challenging because of the complex interaction between the configurations of electrons and nuclei. An initial optical excitation dissipates energy into electronic and structural…

The structural, magnetic and resistive properties of (La1-yYy)FeAsO compounds (y = 0.10, 0.20, 0.30) have been investigated by means of X-ray and neutron powder diffraction as well as by resistivity measurements. The temperatures at which…