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• W2013735574 startingPage "74" @default.
• W2013735574 abstract "The local structures and spin Hamiltonian parameters (g factors and the hyperfine structure constants) of the Rh4+(4d5) and Ir4+(5d5) centers in rhombohedral BaTiO3 are theoretically investigated from the formulas of these parameters for a nd5 (n = 4 and 5) ion with low spin (S = 1/2) in a trigonally distorted octahedron. From the calculations, the impurity ions are found not to occupy exactly the host Ti4+ site in BaTiO3 but to suffer a slight inward shift (∼0.13 Å) towards the center of the oxygen octahedron along the C3 axis, yielding much smaller trigonal distortion as compared with that of the host Ti4+ site. The theoretical spin Hamiltonian parameters based on the above impurity axial shifts are in good agreement with the observed values." @default.
• W2013735574 created "2016-06-24" @default.
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• W2013735574 date "2009-09-01" @default.
• W2013735574 modified "2023-09-27" @default.
• W2013735574 title "Investigations of the local structures and spin Hamiltonian parameters for the trigonal Rh4+ and Ir4+ centers in rhombohedral BaTiO3" @default.
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• W2013735574 doi "https://doi.org/10.1016/j.saa.2009.05.013" @default.
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