A Universal Relation between Electron Density Minima and Ionic Radii in Ceramics

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Abstract

A universal relation between electron density minima and ionic radii, was discovered from the first principles calculations of electronic structures in ceramics over 60 species, including oxides, borides, carbides, nitride and fluorides. Every ceramic falls on a curve of log(ρ<SUB>min</SUB>Z<SUP>−3</SUP>) vs. 2(Z/<i>n</i>)<i>r</i><SUB>min</SUB>, where ρ<SUB>min</SUB> is the minimum electron density in the line linking the first-nearest-neighbor nuclei, <i>r</i><SUB>min</SUB> is the distance <i>r</i> at ρ<SUB>min</SUB>, Z is the atomic number, and <i>n</i> is the principal quantum number.

Journal

  • MATERIALS TRANSACTIONS

    MATERIALS TRANSACTIONS 45(7), 1968-1972, 2004-07-20

    The Japan Institute of Metals and Materials

References:  9

Codes

  • NII Article ID (NAID)
    10013336120
  • NII NACSIS-CAT ID (NCID)
    AA1151294X
  • Text Lang
    ENG
  • Article Type
    ART
  • ISSN
    13459678
  • NDL Article ID
    7015241
  • NDL Source Classification
    ZP41(科学技術--金属工学・鉱山工学)
  • NDL Call No.
    Z53-J286
  • Data Source
    CJP  NDL  J-STAGE 
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