SUBSTITUTION OF PB BY AG AS A WAY TO OBTAIN NEW HIGH-TEMPERATURE SUPERCONDUCTORS - A QUANTUM-CHEMICAL POINT-OF-VIEW

Authors
RYZHKOV MV MEDVEDEVA NI GUBANOV VA
Citation
Mv. Ryzhkov et al., SUBSTITUTION OF PB BY AG AS A WAY TO OBTAIN NEW HIGH-TEMPERATURE SUPERCONDUCTORS - A QUANTUM-CHEMICAL POINT-OF-VIEW, Journal of physics and chemistry of solids, 56(9), 1995, pp. 1231-1237
Citations number
20
Categorie Soggetti
Physics, Condensed Matter",Chemistry
Journal title
Journal of physics and chemistry of solids → ACNP
ISSN journal
00223697
Volume
56
Issue
9
Year of publication
1995
Pages
1231 - 1237
Database
ISI
SICI code
0022-3697(1995)56:9<1231:SOPBAA>2.0.ZU;2-U
Abstract
The cluster discrete variational method is used to calculate the elect ronic structure of fragments of the crystal lattice of the compounds m urdochite (Cu6PbO8) and La2CuO4 containing Ag(I) and Sr(II) substitute d for Pb(IV) and La(III), respectively. Data on the energies and struc ture of the one-electron states and the chemical bonding in these syst ems are used to study the effects of non-isovalent substitution on the hole concentration and charge distribution in copper oxides.