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'Ti0 2' in keywords Facet   Publication Year 1998  [X]
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1998[X]
1Author    K. Sato, H. Akai, T. MinamisonoRequires cookie*
 Title    Ab initio Calculations of Electric Field Gradients for Transition Metal Impurities in TiO z  
 Abstract    We present ab initio calculations of EFGs at impurities in a Ti0 2 crystal. They are directly calculated from the self consistent charge distribution which is determined by the KKR method within the muffin-tin approximation and based on the local density approximation. Impurities in the crystal are simulated by the super-cell method. Considering the charge state of Sc, Ti, Nb, Cd, Ta impurities in the Ti0 2 , the experimental values were well reproduced. The electronic structure of these impurities is discussed by analyzing the calculated density of states. 
  Reference    Z. Naturforsch. 53a, 396—403 (1998); received October 31 1997 
  Published    1998 
  Keywords    Ti0 2, Electric Field Gradient, Transition Metal Impurity, Band-Structure, Charge State 
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 TEI-XML for    default:Reihe_A/53/ZNA-1998-53a-0396.pdf 
 Identifier    ZNA-1998-53a-0396 
 Volume    53 
2Author    K. Sato, S. Takeda, S. Fukuda, T. Minamisono, M. Tanigaki, T. Miyake, Y. Maruyama, K. Matsuta, M. Fukuda, Y. NojiriRequires cookie*
 Title    FT-NMR Detection of 45 Sc, 49 Ti and 93 Nb in Ti0 2 Single Crystal  
 Abstract    In order to determine the electric quadrupole moment of the short-lived Remitter 41 Sc from the quad-rupole coupling constant in Ti0 2 , we measured the field gradient by detecting the Fourier-Transformed-NMR of stable isotope 45 Sc doped in TiO->. Also, in order to study the electronic structure of impurities systematically, EFGs were measured for * 5 Sc, 49 Ti and 93 Nb in a Ti0 2 single crystal. 
  Reference    Z. Naturforsch. 53a, 549—551 (1998); received December 31 1997 
  Published    1998 
  Keywords    Ti0 2, 41 Sc, Quadrupole Moment, Transition Metal Impurity, Electric Field Gradient 
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 TEI-XML for    default:Reihe_A/53/ZNA-1998-53a-0549.pdf 
 Identifier    ZNA-1998-53a-0549 
 Volume    53