Related papers: Effect of ELF e.m. fields on metalloprotein redox-…

Ultrafast heating of solids with modern X-ray free electron lasers (XFELs) leads to a unique set of conditions that is characterized by the simultaneous presence of heated electrons in a cold ionic lattice. In this work, we analyze the…

The mechanisms underlying the enhancement of magnetic anisotropies (MAs) of Sm ions, owing to valence electrons at the Sm site and the screened nuclear charges of ligands, are clarified using a detailed analysis of crystal fields (CF). In…

The local environment of Gd3+ (4f7 S=7/2) ions in single crystals of Ca1-xGdxB6 (0.0001 < x < 0.01) is studied by means of Electron Spin Resonance (ESR). The spectra for low concentration samples (x < 0.001) show a split spectrum due to…

The nature of low-impurity ferromagnetism remains a challenging problem in the solid-state community. Despite initial experiments dating back to the mid-20th century, a comprehensive theoretical explanation and reliable ab initio…

We employ electron paramagnetic resonance (EPR) of the spin probe Mn2+ to study the paraelectric ferroelectric transition in DMAMnF and Mn2 doped DMZnF, which are considered to be model metal organic frameworks (MOF) with a Pb free…

The current study illustrates the successful synthesis of Ce$_{1.0}$Mn$_{0.9}$Co$_{0.1}$ nanoparticles, characterized through XRD, EPR, magnetization curves, and TEM/HRTEM/EDX analyses. These nanoparticles were then loaded into the carbon…

In this paper we study, both with theoretical and experimental approach, the effect of iron doping in zirconia. Combining density functional theory (DFT) simulations with the experimental characterization of thin films, we show that iron is…

95, 97Mo NMR experiments have been performed on a series of Sr2FeMoO6 and electron-doped Sr2-xLaxFeMoO6 ceramics. Detailed analysis of the NMR spectra from pristine Sr2FeMoO6 conclusively shows that the Mo hyperfine field is mainly due to…

We have obtained low-resolution near-infrared spectra of five SDSS QSOs at 5.3 < z < 6.3 using the NICMOS instrument of the Hubble Space Telescope. We find evidence of emission in the Fe II complex centered near 2500 A (rest) in all five…

Different element substitution effects in transition metal oxypnictide Re(O$_{1-x}$F$_x$)TAs with Re=La, Ce, Nd, Eu, Gd, Tm, T=Fe, Ni, Ru, were studied. Similar to the La- or Ce-based systems, we found that the pure NdOFeAs shows a strong…

We present a comprehensive spectroscopic study of C$_{2v}$ point-group symmetry sites in Sm$^{3+}$:CaF$_2$/SrF$_2$ codoped with either NaF or LiF. Data includes electron paramagnetic resonance measurements of Zeeman and hyperfine…

The influence of inner electrons on the ionization dynamics in strong laser fields is investigated in a wavelength regime where the inner electron dynamics is usually assumed to be negligible. The role of inner electrons is of particular…

Intense electrostatic fields, such as those able to break bonds and cause field-ion emission, can fundamentally alter the behaviour of atoms at and on the surface. Using density functional theory (DFT) calculations on the Li (110) surface…

Using density functional theory the ground state structural, electronic, and magnetic properties of monatomic lithium and sodium chains with low average density are investigated. A metallic, zigzag ground state structure is predicted but,…

The scattering of conduction electrons by crystalline electric field (CEF) excitations may enhance their effective quasiparticle mass similar to scattering from phonons. A wellknown example is Pr metal where the isotropic exchange…

In this study we explore, both from theoretical and experimental side, the effect of Fe doping in ZrO2 (ZrO2:Fe). By means of first principles simulation we study the magnetization density and the magnetic interaction between Fe atoms. We…

We investigate some surfaces of a paradigmatic sp bonded metal--namely, Al(110), Al(100), and Al(111)--by means of the "electron localization function" (ELF), implemented in a first-principle pseudopotential framework. ELF is a ground-state…

We discuss electronic and magnetic properties of Na$_x$Fe$_{1/2}$Mn$_{1/2}$O$_2$, a promising Na-ion battery cathode material. Using x-ray Compton scattering, SQUID magnetometry, and density-functional-theory based modeling, we probe how…

Structural (lattice parameters and sublattice occupancies) and electronic (charge-density and electric field gradient) properties in a series of compounds mu-Fe_(100-x)Mo_x were studied experimentally (X-ray diffraction and Mossbauer…

Metal ions, including copper and zinc, have been implicated in the pathogenesis of Alzheimers disease through a variety of mechanisms including increased amyloid \b{eta} affinity and redox effects. Recent reports have demonstrated that the…