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Electric field gradient in transition metal — scandium

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Abstract

Electric field gradient inhcp transition metal scandium has been calculated as the sum of contributions from lattice ions and conduction electrons. For the lattice contributionq latt, a point-charge model has been assumed. The contribution from conduction electronsq el, on the other hand, has been evaluated by carrying out an energy-band calculation using non-local transition-metal model potential. The results obtained are:q el=−106.11×1013 esu/cm3 andq latt=122.17×1013 esu/cm3. The net field gradient (q el+q latt) of 16.06×1013 esu/cm3 agrees quite well with the experimental result, |q expt|=13×1013 esu/cm3. Directions of further improvement in the theory are discussed.

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Authors and Affiliations

  1. Department of Physics, Khallikote College, 760 001, Berhampur, India

    B B Panigrahi & N C Mohapatra

  2. Department of Physics, Berhampur University, 760 007, Berhampur, India

    N C Mohapatra

Authors
  1. B B Panigrahi
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  2. N C Mohapatra
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Panigrahi, B.B., Mohapatra, N.C. Electric field gradient in transition metal — scandium. Pramana - J. Phys. 41, 443–451 (1993). https://doi.org/10.1007/BF02847450

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  • DOI: https://doi.org/10.1007/BF02847450

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