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'Spin density' in keywords Facet   Publication Year 1989  [X]
Facet   section ZfN Section A:Volume 044  [X]
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1Author    D. Siebert, J. Dahlem, S. Fiechter, A. HartmannRequires cookie*
 Abstract    Synthetic pyrite crystals doped with halogen (CI, Br) or manganese (Mn) were investigated by ESR at 78 K with an X-band spectrometer and a TE102 cavity with lOOkc field modulation. The crystals were preferably measured with the directions <100>, <110), and <111) parallel to the static magnetic field H0. The ESR spectrum of Mn-doped crystals showed a sextet which can be explained by a spin-Hamiltonian for an electron spin S = 1/2 in interaction with the nuclear spin / = 5/2 of the Mn nucleus for axial symmetry. Due to the observed spin and due to the orientation of the paramagnetic centers the spectra were assigned to Mn2+ in the low spin state which resides on cation site in the FeS-, lattice. In halogen-doped crystals four pairs of lines can be interpreted by the interaction of the two isotopes of / = 3/2, 79Br, 81 Br and 35C1, 37C1, respectively, with an electron spin S — 1/2. According to the observed symmetry of the ESR signals the paramagnetic centers can be explained as (S-X)2~ radicals (X = CI, Br) which substitute for the (S2)2~ dumb-bells of pyrite. All crystals evoked extremely narrow ESR lines, especially the halogen-doped crystals with linewidths down to 0.03 mT. Excellent agreement between measured and calculated spectra up to the finest details has been obtained. A n E S R In v e s tig a tio n o f S y n th e tic P y r ite C r y s ta ls 
  Reference    Z. Naturforsch. 44a, 59—66 (1989); received November 12 1988 
  Published    1989 
  Keywords    Pyrite, ESR anorganic radicals, hyperfine coupling, spin densities 
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 TEI-XML for    default:Reihe_A/44/ZNA-1989-44a-0059.pdf 
 Identifier    ZNA-1989-44a-0059 
 Volume    44