Related papers: Ortho-Para Conversion in CH3F. Self-Consistent The…
Lead-halide organic-inorganic perovskites consist of an inorganic host framework with an organic molecule occupying the interstitial space. The structure and dynamics of these materials have been heavily studied recently due to interest in…
Spin-orbit coupling in crystals is known to lead to unusual direction dependent exchange interactions, however understanding of the consequeces of such effects in molecular crystals is incomplete. Here we perform four component relativistic…
An extended investigation of the low-spin structure of the $^{65}$Ni nucleus was performed at the Institut Laue-Langevin, Grenoble, via the neutron capture reaction $^{64}$Ni(n,$\gamma$)$^{65}$Ni, using the FIPPS HPGe array. The level…
Relativistic self-consistent mean-field (SCMF) models naturally account for the coupling of the nucleon spin to its orbital motion, whereas non-relativistic SCMF methods necessitate a phenomenological ansatz for the effective spin-orbit…
Magnetic properties of stechiometric YTiO3 has been calculated within the single-ion-based paradigm taking into account the low-symmetry crystal field and the intra-atomic spin-orbit coupling of the Ti3+ ion. Despite of the very simplified…
Single electron spins coupled to multiple nuclear spins provide promising multi-qubit registers for quantum sensing and quantum networks. The obtainable level of control is determined by how well the electron spin can be selectively coupled…
The determination of the spin distribution functions for the neutron requires an understanding of the changes induced by a nuclear medium. We present the first estimates of the changes induced in the spin-dependent, valence parton…
Working with nuclear magnetic resonance (NMR) in quadrupolar spin systems, in this paper we transfer the concept of atomic coherent state to the nuclear spin context, where it is referred to as pseudo-nuclear spin coherent state…
The excitation temperature T_01 derived from the relative intensities of the J = 0 (para) and J = 1 (ortho) rotational levels of H2 has been assumed to be an accurate measure of the kinetic temperature in interstellar environments. In…
The spin state transition in LaCoO$_3$ has eluded description for decades despite concerted theoretical and experimental effort. In this study, we approach this problem using fully charge self-consistent Density Functional Theory + Embedded…
A framework for reconstructing the one-electron spinors, $\Gamma_7$ and $\Gamma_8$, of \ch{Cr^3+} ions embedded in glasses from optical measurements has been developed. These spinors provide the basis for calculating the spin-orbital von…
The Mn spin correlations were studied near the O'-O phase transition at T{JT} = 750 K, up to 950 K with 17O and 139La NMR in a stoichiometric LaMnO3 crystalline sample. The measured local hyperfine fields originate from the electron density…
We consider the minimal extension of the Standard Model with three generations of massive neutrinos that mix. We then determine the parameters of the model that satisfy all experimental constraints.
The oxidation and spin state of a metal-organic molecule determine its chemical reactivity and magnetic properties. Here, we demonstrate the reversible control of the oxidation and spin state in a single Fe-porphyrin molecule in the force…
A standard method to detect thermal neutrons is the nuclear interaction $^3$He(n,p)$^3$H. The spin-dependence of this interaction is also the basis of a neutron spin-polarization filter using nuclear polarized $^3$He. We consider the…
Metal-organic frameworks (MOFs), with their high porosity and large internal surface area, provide versatile platforms for integrating spin centers with potential applications in catalysis and quantum sensing. Here, we identify a stable NH…
The paper presents the Electron Paramagnetic Resonance study of defects in the spin chain o- (DMTTF)2X family using continuous wave and pulsed techniques. The defects in spin chains are strongly correlated and present similar microscopic…
^{139}La NMR measurements of La_{2/3}Ca_{1/3}MnO_3 performed in the paramagnetic state and high magnetic fields are reported. Analysis of the high temperature spectrum measured establishes that the spectrum it is a standard powder pattern…
The electronic structure of Sr$_3$CuIrO$_6$, a model system for the 5d Ir ion in an octahedral environment, is studied through a combination of resonant inelastic x-ray scattering (RIXS) and theoretical calculations. RIXS spectra at the Ir…
The compounds A$_2$Cu$_3$O(SO$_4$)$_3$ (A=Na, K) are characterized by copper hexamers which are weakly coupled to realize antiferromagnetic order below TN=3 K. They constitute novel quantum spin systems with S=1 triplet ground-states. We…