ELECTRONIC-STRUCTURE OF SUPERCONDUCTING BA6C60

Authors
ERWIN SC
Citation
Sc. Erwin, ELECTRONIC-STRUCTURE OF SUPERCONDUCTING BA6C60, Physical review. B, Condensed matter, 47(21), 1993, pp. 14657-14660
Citations number
15
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physical review. B, Condensed matter → ACNP
ISSN journal
01631829
Volume
47
Issue
21
Year of publication
1993
Pages
14657 - 14660
Database
ISI
SICI code
0163-1829(1993)47:21<14657:EOSB>2.0.ZU;2-N
Abstract
We report the results of first-principles electronic-structure calcula tions for superconducting Ba6C60. Unlike the A3C60 superconductors, th is new compound shows strong Ba-C hybridization in the valence and con duction regions, mixed covalent-ionic bonding character, partial charg e transfer, and insulating band structure, with a very small or zero g ap within the local-density approximation.