Electron magnetic resonance data on high-spin Mn(III; S=2) ions in porphyrinic and salen complexes modeled by microscopic spin Hamiltonian approach.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of inorganic biochemistry"
DOI: 10.1016/j.jinorgbio.2017.06.006
Abstract: The spin Hamiltonian (SH) parameters experimentally determined by EMR (EPR) may be corroborated or otherwise using various theoretical modeling approaches. To this end semiempirical modeling is carried out for high-spin (S=2) manganese (III) 3d4 ions… read more here.
Keywords: high spin; iii ions; modeling; spin ... See more keywords
Spin-Hamiltonian parameters and zero-field splitting of impurity Gd3+ ions in SrY2O4 crystal
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2018.09.044
Abstract: Abstract Electron paramagnetic resonance (EPR) study of the impurity Gd3+ ions in the multi-site SrY2O4 crystal isostructural to the magnetically-frustrated SrGd2O4 compound is reported. Analysis of the angular dependences of the EPR spectra at room… read more here.
Keywords: gd3 ions; spin hamiltonian; impurity gd3; sry2o4 crystal ... See more keywords
Research of the spin-Hamiltonian parameters and tetragonal distortion for Dy3+ octahedral clusters in the tetragonal phase of Rb2NaYF6
Sign Up to like & getrecommendations! Published in 2017 at "Polyhedron"
DOI: 10.1016/j.poly.2017.03.016
Abstract: Abstract The spin-Hamiltonian parameters ( g factors g i and hyperfine structure constants A i 161 , A i 163 , where i = || or ⊥) for 161 Dy 3+ and 163 Dy 3+ isotopes… read more here.
Keywords: hamiltonian parameters; tetragonal distortion; octahedral clusters; spin hamiltonian ... See more keywords
Easy-axis magnetic anisotropy in tetragonally elongated cobalt(II) complexes beyond the spin-Hamiltonian formalism.
Sign Up to like & getrecommendations! Published in 2023 at "Dalton transactions"
DOI: 10.1039/d3dt00990d
Abstract: Two hexacoordinate Co(II) complexes [Co(hfac)2(etpy)2] (1) and [Co(hfac)2(bzpyCl)2] (2) were synthesized and spectrally and structurally characterized. The {CoO4N2} chromophore adopts a geometry of the elongated tetragonal bipyramid with a small o-rhombic component. This less common… read more here.
Keywords: magnetic anisotropy; spin; easy axis; axis magnetic ... See more keywords
Theoretical research on the spin-Hamiltonian parameters of the square-planar CuS46− clusters in Cu(II)–dithiophosphonate complexes
Sign Up to like & getrecommendations! Published in 2017 at "Molecular Physics"
DOI: 10.1080/00268976.2017.1280192
Abstract: ABSTRACT The spin-Hamiltonian parameters (g-factors g//, g⊥ and hyperfine structure constants A//, A⊥) of the square-planar CuS6 −4 clusters in Cu(II)–bis [4-ethoxphenyl-O-alkyl]-dithiophosphonate complexes are computed with the high-order perturbation formulas based on the two-mechanism model.… read more here.
Keywords: square planar; spin hamiltonian; dithiophosphonate complexes; excited states ... See more keywords
Theoretical studies of the Spin Hamiltonian parameters and local structures for Cu2+ centers in MNB ternary glasses
Sign Up to like & getrecommendations! Published in 2018 at "Radiation Effects and Defects in Solids"
DOI: 10.1080/10420150.2018.1531413
Abstract: ABSTRACT The spin Hamiltonian parameters (g factors g|| and g⊥ and the hyperfine structure constants A|| and A⊥) for the doped Cu2+ ion (in the form of CuO) in ternary glasses (i.e. xMgO·(30-x)Na2O·69B2O3·CuO, with 5 read more here.
Keywords: theoretical studies; hamiltonian parameters; ternary glasses; spin hamiltonian ... See more keywords
Spin-Hamiltonian parameters, defect model and defect structure for the tetragonal Mo5+ center in x-ray-irradiated α-ZnMoO4 crystals
Sign Up to like & getrecommendations! Published in 2019 at "Radiation Effects and Defects in Solids"
DOI: 10.1080/10420150.2019.1644641
Abstract: ABSTRACT The spin-Hamiltonian parameters (g factors gi, hyperfine structure constants Ai (95Mo5+) and Ai (97Mo5+), i = // and ⊥) assigned to the tetragonal Mo5+ (4d1) tetrahedral center in α-ZnMoO4 crystal caused by a Mo6+(1) ion trapping… read more here.
Keywords: tetragonal mo5; model; center; spin hamiltonian ... See more keywords
Studies on spin Hamiltonian parameters and local structures for v4+ in BaCl2-BaO-B2O3 glasses at various BaCl2 compositions
Sign Up to like & getrecommendations! Published in 2020 at "Philosophical Magazine"
DOI: 10.1080/14786435.2020.1786769
Abstract: ABSTRACT The spin Hamiltonian parameters (SHPs), local structure and their composition dependences for impurity V4+ in xBaCl2-(30–x)BaO-68B2O3-2V2O5 (x = 0, 2, 5, 10 mol%) glasses are theoretically analyzed by using the perturbation formulae of SHPs for octahedral 3d1… read more here.
Keywords: parameters local; studies spin; spin hamiltonian; hamiltonian parameters ... See more keywords
Inelastic neutron scattering determination of the spin Hamiltonian for BaCdVO(PO4)2
Sign Up to like & getrecommendations! Published in 2021 at "Physical Review B"
DOI: 10.1103/physrevb.103.144402
Abstract: No material perfectly realizes the frustrated quantum ferro-antiferromagnetic Heisenberg model on a square lattice, but BaCdVO(PO${}_{4}$)${}_{2}$ comes close. Here, the authors perform neutron spectroscopy measurements in high magnetic fields to determine an appropriate spin Hamiltonian… read more here.
Keywords: inelastic neutron; spin hamiltonian; neutron scattering; bacdvo ... See more keywords
Calculations of defect structures and spin Hamiltonian parameters of copper in (70 − x)Bi2O3–xLi2O–30 (ZnO–B2O3) glasses at different compositions
Sign Up to like & getrecommendations! Published in 2018 at "Modern Physics Letters B"
DOI: 10.1142/s0217984918503050
Abstract: Defect structures and spin Hamiltonian parameters (SHPs) and the corresponding composition dependencies are quantitatively analyzed for divalent copper in (70 − x)Bi2O3–xLi2O–30(ZnO–B2O3) (0 ≤ x ≤ ... read more here.
Keywords: copper bi2o3; bi2o3 xli2o; defect structures; spin hamiltonian ... See more keywords