Search results for "CORR"
showing 10 items of 6535 documents
Compact setup for spin-, time-, and angle-resolved photoemission spectroscopy.
2020
Review of scientific instruments 91(6), 063001 (2020). doi:10.1063/5.0004861
Two-neutron correlations at small relative momenta in ^40Ar + ^197Au collisions at 60 MeV/nucleon
2000
Two-neutron correlation functions are measured in the 40Ar + 197Au reaction at 60 MeV/nucleon to study the space-time characteristics of neutron emitting sources. The source temperatures and velocities are deduced by fitting the single-neutron energy spectra with a three-source model. A comparison of the correlation data with the predictions of the model of moving sources and with the dynamical Landau-Vlasov model suggests the relevance of a multisource description. Particular care has been paid to the influence of the relative source abundance on the shape of the correlation function.
Current induced chiral domain wall motion in CuIr/CoFeB/MgO thin films with strong higher order spin–orbit torques
2020
We investigate the Dzyaloshinskii–Moriya interaction (DMI) and spin–orbit torque effects in CuIr/CoFeB/MgO heterostructures. To this end, harmonic Hall measurements and current induced domain wall motion experiments are performed. The motion of domain walls at zero applied field due to current demonstrates the presence of DMI in this system. We determine the strength of the DMI to be D = + 5 ± 3 μ J / m 2 and deduce right-handed chirality in domain walls showing a partial Neel type spin structure. To ascertain the torques, we perform a second harmonic measurement to quantify the damping- and field-like current induced effective fields as a function of the magnetization direction. From the a…
Aqueous Corrosion of the GeSe4 Chalcogenide Glass: Surface Properties and Corrosion Mechanism
2009
International audience; The aqueous corrosion behavior of the GeSe4 glass composition has been studied over time under various conditions (temperature and pH). The evolution of the surface topography by atomic force microscopy and properties such as surface hardness and reduced modulus, as well as the optical transmission in the 1-16 μm window, have been measured as a function of time spent in the corrosive solution. It was found that even if the glass reacts at room temperature, its optical transparency was barely affected. Nevertheless, the durability of GeSe4 was found to be drastically affected by an increase of both temperature and pH. Furthermore, pure selenium nanoparticles were form…
Enhancement of the Spin Pumping Effect by Magnon Confluence Process in YIG/Pt Bilayers
2019
The experimental investigation of the spin pumping process by dipolar‐exchange magnons parametrically excited in in‐plane magnetized yttrium iron garnet/platinum bilayers is presented. The electric voltage generated in the platinum layer via the inverse spin Hall effect (ISHE) results from contributions of two opposite spin currents formed by the longitudinal spin Seebeck effect and by the spin pumping from parametric magnons. In the field‐dependent measurements of the spin pumping‐induced component of the ISHE‐voltage, a clearly visible sharp peak is detected at high pumping powers. It is found that the peak position is determined by the process of confluence of two parametrically excited …
Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble …
2015
Hartree-Fock and density functional theory with the hybrid B3LYP and general gradient KT2 exchange-correlation functionals were used for nonrelativistic and relativistic nuclear magnetic shielding calculations of helium, neon, argon, krypton, and xenon dimers and free atoms. Relativistic corrections were calculated with the scalar and spin-orbit zeroth-order regular approximation Hamiltonian in combination with the large Slater-type basis set QZ4P as well as with the four-component Dirac-Coulomb Hamiltonian using Dyall's acv4z basis sets. The relativistic corrections to the nuclear magnetic shieldings and chemical shifts are combined with nonrelativistic coupled cluster singles and doubles …
High excitations in coupled-cluster series: vibrational energy levels of ammonia
2004
The ammonia molecule containing large amplitude inversion motion is a revealing system in examining high-order correlation effects on potential energy surfaces. Correlation contributions to the equilibrium and saddle point geometries, inversion barrier height and vibrational energy levels, including inversion splittings, have been investigated. A six-dimensional Taylor-type series expansion of the Born–Oppenheimer potential energy surface, which is scaled to different levels of theory, is used to determine vibrational energy levels and inversion splittings variationally. The electronic energies are calculated by coupled-cluster methods, combining explicitly correlated R12 theory (which incl…
Dynamic Polarizability and Higher-Order Electric Properties of Fluorene, Carbazole, and Dibenzofuran
2019
Static electric properties, from the dipole moment to the second-hyperpolarizability tensor γ, of the 3-membered, isoelectronic ring molecules, fluorene (FL), carbazole (CR), and dibenzofuran (DBF), have been calculated at various levels of approximation. The electron correlation effects have been included at the coupled-cluster (CC) level, using CCSD and CC2 versions of the method. DFT calculations with the CAM-B3LYP functional have also been performed, and the results are compared to the CC values. The electric property-tailored Pol basis set and its more compact Z3Pol version have been employed in all static calculations. Differences between dipole polarizability values computed at the P…
Calculation of electronic g-tensors using coupled cluster theory.
2009
A scheme for the calculation of the electronic g-tensor at the coupled cluster (CC) level is presented. The reported implementation employs an effective one-electron spin-orbit operator, allows the inclusion of arbitrary excitations in the cluster operator, and offers various options concerning the treatment of orbital relaxation and choice of reference determinants. In addition, the use of gauge-including atomic orbitals (GIAOs) is possible to overcome the gauge origin problem. Benchmark calculations for the NH ((3)Sigma(-)) radical reveal the importance of electron correlation effects for the accurate prediction of the g-shift as well as the slow basis set convergence of such calculations…
Bond Dissociation Energies for Diatomic Molecules Containing 3d Transition Metals: Benchmark Scalar-Relativistic Coupled-Cluster Calculations for 20 …
2017
Benchmark scalar-relativistic coupled-cluster calculations for dissociation energies of the 20 diatomic molecules containing 3d transition metals in the 3dMLBE20 database ( J. Chem. Theory Comput. 2015 , 11 , 2036 ) are reported. Electron correlation and basis set effects are systematically studied. The agreement between theory and experiment is in general satisfactory. For a subset of 16 molecules, the standard deviation between computational and experimental values is 9 kJ/mol with the maximum deviation being 15 kJ/mol. The discrepancies between theory and experiment remain substantial (more than 20 kJ/mol) for VH, CrH, CoH, and FeH. To explore the source of the latter discrepancies, the …