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Article
On the Electronic Structure of the New "Intermetallics" LnNi2B2C
Journal of the American Chemical Society
  • Gordon J. Miller, Iowa State University
Document Type
Article
Publication Version
Published Version
Publication Date
1-1-1994
DOI
10.1021/ja00093a037
Abstract

The electronic structure of the new series of intermetallic compounds LnNiZBzC (Ln = lanthanide element) is calculated and discussed in terms of local chemical bonding in order to elucidate how superconductivity may be possible for some of these materials. The Fermi level occurs in a region that allows for a second-order Jahn-Teller mixing and can contribute to significant electron-phonon coupling in these systems. Moreover, the trend in the a lattice parameter for different Ln cations shifts the position of the x2-y2 band, which significantly changes its occupation and affects the superconducting transition temperature. We also compare the electronic structures of LnNizBzC with those from the related compounds LnNiBC.

Comments

Reprinted (adapted) with permission from J. Am. Chem. Soc., 1994, 116 (14), pp 6332–6336. Copyright 1994 American Chemical Society.

Copyright Owner
American Chemical Society
Language
en
File Format
application/pdf
Citation Information
Gordon J. Miller. "On the Electronic Structure of the New "Intermetallics" LnNi2B2C" Journal of the American Chemical Society Vol. 116 Iss. 14 (1994) p. 6332 - 6336
Available at: http://works.bepress.com/gordon-miller/71/