Campus Units

Chemistry

Document Type

Article

Publication Version

Published Version

Publication Date

1994

Journal or Book Title

Journal of the American Chemical Society

Volume

116

Issue

14

First Page

6332

Last Page

6336

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

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