Coulomb correlations and electronic structure of the spin-peierls cuprate CuGeO3
Samo za registrovane korisnike
1998
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
The generalization of the local(-spin)-density-approximation (L(S)DA) method for the systems with strong Coulomb correlations has been applied for the calcualtion of the electronic structure for the cuprate CuGeO3. The stable insulating antiferromagnetic solution with an energy gap of similar to 3.02 eV and a magnetic moment of 0.89 mu(B) is obtained for the first time. According to our results the strong copper on-site Coulomb interaction of U=9.66 eV is the most important quantity for the gap opening in this first inorganic spin-Peierls compound.
Ključne reči:
electronic structure / Coulomb correlationsIzvor:
Solid State Phenomena, 1998, 61-2, 139-142
DOI: 10.4028/www.scientific.net/SSP.61-62.139
ISSN: 1012-0394
WoS: 000075589100023
Scopus: 2-s2.0-17344373894
Institucija/grupa
VinčaTY - JOUR AU - Šljivančanin, Željko AU - Popović, Zoran S. AU - Vukajlović, Filip R. PY - 1998 UR - https://vinar.vin.bg.ac.rs/handle/123456789/2172 AB - The generalization of the local(-spin)-density-approximation (L(S)DA) method for the systems with strong Coulomb correlations has been applied for the calcualtion of the electronic structure for the cuprate CuGeO3. The stable insulating antiferromagnetic solution with an energy gap of similar to 3.02 eV and a magnetic moment of 0.89 mu(B) is obtained for the first time. According to our results the strong copper on-site Coulomb interaction of U=9.66 eV is the most important quantity for the gap opening in this first inorganic spin-Peierls compound. T2 - Solid State Phenomena T1 - Coulomb correlations and electronic structure of the spin-peierls cuprate CuGeO3 VL - 61-2 SP - 139 EP - 142 DO - 10.4028/www.scientific.net/SSP.61-62.139 UR - https://hdl.handle.net/21.15107/rcub_vinar_2172 ER -
@article{ author = "Šljivančanin, Željko and Popović, Zoran S. and Vukajlović, Filip R.", year = "1998", abstract = "The generalization of the local(-spin)-density-approximation (L(S)DA) method for the systems with strong Coulomb correlations has been applied for the calcualtion of the electronic structure for the cuprate CuGeO3. The stable insulating antiferromagnetic solution with an energy gap of similar to 3.02 eV and a magnetic moment of 0.89 mu(B) is obtained for the first time. According to our results the strong copper on-site Coulomb interaction of U=9.66 eV is the most important quantity for the gap opening in this first inorganic spin-Peierls compound.", journal = "Solid State Phenomena", title = "Coulomb correlations and electronic structure of the spin-peierls cuprate CuGeO3", volume = "61-2", pages = "139-142", doi = "10.4028/www.scientific.net/SSP.61-62.139", url = "https://hdl.handle.net/21.15107/rcub_vinar_2172" }
Šljivančanin, Ž., Popović, Z. S.,& Vukajlović, F. R.. (1998). Coulomb correlations and electronic structure of the spin-peierls cuprate CuGeO3. in Solid State Phenomena, 61-2, 139-142. https://doi.org/10.4028/www.scientific.net/SSP.61-62.139 https://hdl.handle.net/21.15107/rcub_vinar_2172
Šljivančanin Ž, Popović ZS, Vukajlović FR. Coulomb correlations and electronic structure of the spin-peierls cuprate CuGeO3. in Solid State Phenomena. 1998;61-2:139-142. doi:10.4028/www.scientific.net/SSP.61-62.139 https://hdl.handle.net/21.15107/rcub_vinar_2172 .
Šljivančanin, Željko, Popović, Zoran S., Vukajlović, Filip R., "Coulomb correlations and electronic structure of the spin-peierls cuprate CuGeO3" in Solid State Phenomena, 61-2 (1998):139-142, https://doi.org/10.4028/www.scientific.net/SSP.61-62.139 ., https://hdl.handle.net/21.15107/rcub_vinar_2172 .