ISSN print edition: 0366-6352
ISSN electronic edition: 1336-9075
Registr. No.: MK SR 9/7

Published monthly
 

Oxygen Content Effect in Y—Ba—Сu—О Superconductors

M. Breza

Department of Chemical Physics, Faculty of Chemical Technology, Slovak Technical University

 

Abstract: The dependence of electronic structure of superconducting YBa2Cu3Oy on the oxygen content is investigated using the standard CNDO/2 and quasi-relativistic CNDO/1 molecular orbital method. Electronic structures of model clusters [Cu3On]q with total charges q = 7 - 2n and n = 11 to 14 in various geometries are compared. Possible Cu(III) in real systems may be ascribed to penta-coordinate Cu-2 in CuO2 planes for y < 7 or to Cu-1 in Cu-O chains for y > 7. The apical oxygen position within Cu-1-O-2-Cu-2 frame is influenced by actual Cu-1 coordination implied by the y value.

Full paper in Portable Document Format: 473a137.pdf

 

Chemical Papers 47 (3) 137–142 (1993)

Monday, July 26, 2021

IMPACT FACTOR 2020
2.097
SCImago Journal Rank 2020
0.344
SEARCH
Advanced
VOLUMES
XXVIII. International Conference on Coordination and Bioinorganic Chemistry
© 2021 Chemical Papers