BAND PICTURE OF THE SPIN-PEIERLS CUPRATE CUGEO3

Authors
SLJIVANCANIN ZV POPOVIC ZS VUKAJLOVIC FR
Citation
Zv. Sljivancanin et al., BAND PICTURE OF THE SPIN-PEIERLS CUPRATE CUGEO3, Physical review. B, Condensed matter, 56(8), 1997, pp. 4432-4438
Citations number
35
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physical review. B, Condensed matter → ACNP
ISSN journal
01631829
Volume
56
Issue
8
Year of publication
1997
Pages
4432 - 4438
Database
ISI
SICI code
0163-1829(1997)56:8<4432:BPOTSC>2.0.ZU;2-D
Abstract
The electronic structure for the cuprate CuGeO3 has been studied by th e generalization of the local-density-approximation method for the sys tems with strong Coulomb correlations. The stable insulating antiferro magnetic solution with an energy gap of similar to 3.02 eV and a magne tic moment of 0.89 mu(B) is obtained. According to our results the str ong copper on-site Coulomb interaction of U = 9.66 eV is the most impo rtant quantity for the gap opening in this inorganic spin-Peierls comp ound.