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'electric field gradient' in keywords Facet   Publication Year 1992  [X]
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1Author    R. Julian, C. Brown, MeganE. Shortreed, AndrewJ. Szabo, BrianM. Powell, StephenN. StuartRequires cookie*
 Title    NQR and Neutron Diffraction in Scheelites  
 Abstract    Measurements of the spin-lattice relaxation time for rhenium in KRe04 and NH4Re04 are reported; relaxation rates are extremely fast due to the large quadrupole moment of Re. Calculations of the electric field gradient in KRe04 show that the EFG is a very sensitive function of the orientation of the anion in the unit cell as well as of the unit cell dimensions, and that geometrical effects make a major contribution to the temperature dependence. Neutron diffraction in these two salts has been employed to determine the temperature dependence of structural parameters over a wide range of temperature, and preliminary results are reported. 
  Reference    Z. Naturforsch. 47a, 308—312 (1992); received August 4 1991 
  Published    1992 
  Keywords    NQR, Relaxation, Electric field gradient, Neutron diffraction 
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 TEI-XML for    default:Reihe_A/47/ZNA-1992-47a-0308.pdf 
 Identifier    ZNA-1992-47a-0308 
 Volume    47 
2Author    Karlheinz Schwarz, Peter BlahaRequires cookie*
 Title    Ab initio Calculations of the Electric Field Gradients in Solids in Relation to the Charge Distribution  
 Abstract    A first principles method for the computation of electric field gradients (EFGs) is illustrated for various solids. This scheme is based on self-consistent energy band-structure calculations by the full potential linearized augmented plan wave (FLAPW) method which provides the electronic charge density including all polarization effects. By numerically solving Poisson's equation we obtain the Coulomb potential in a form which allows to compute the EFG directly. Our method is demon-strated for insulators (Cu20), metals (hcp-Zn), supercondutors (YBa2Cu3Ö7) and molecular crystals (Cl2, Br2, I2). 
  Reference    Z. Naturforsch. 47a, 197—202 (1992); received August 3 1991 
  Published    1992 
  Keywords    Band-structure calculation, Electric field gradient, Nuclear quadrupole interaction, Molecular crystals, High-Tc superconductors 
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 TEI-XML for    default:Reihe_A/47/ZNA-1992-47a-0197.pdf 
 Identifier    ZNA-1992-47a-0197 
 Volume    47