Prikaz osnovnih podataka o dokumentu
Coulomb-correlated band structure of one-dimensional spin-Peierls alpha -NaV2O5
| dc.creator | Popović, Zoran S. | |
| dc.creator | Vukajlović, Filip R. | |
| dc.date.accessioned | 2018-03-01T18:40:46Z | |
| dc.date.available | 2018-03-01T18:40:46Z | |
| dc.date.issued | 1999 | |
| dc.identifier.issn | 1098-0121 | |
| dc.identifier.issn | 1550-235X | |
| dc.identifier.uri | https://vinar.vin.bg.ac.rs/handle/123456789/2229 | |
| dc.description.abstract | The paramagnetic, spin-polarized, and local-density approximation LDA + U rotationally invariant, fully self-consistent linear muffin-tin orbital band structure for the second inorganic spin-Peierls vanadate alpha-NaV2O5 has been calculated. A very small band-gap solution and magnetic moments on both vanadium-type atoms are obtained in the framework of local-spin-density functional approximation. The new rotationally invariant LDA + U approach has produced the insulating antiferromagnetic solution with an energy gap of 2.7 eV and a magnetic moment of 0.97 mu(beta) only on one type of vanadium atoms. These results are in agreement with experiments to a quite satisfactory degree. | en |
| dc.relation | Serbian Scientific Foundation as an integral part of the project "Physics of Condensed Matter and New Materials'' [Grant No. 3] | |
| dc.rights | restrictedAccess | en |
| dc.source | Physical Review B: Condensed Matter and Materials Physics | en |
| dc.title | Coulomb-correlated band structure of one-dimensional spin-Peierls alpha -NaV2O5 | en |
| dc.type | article | en |
| dc.rights.license | ARR | |
| dcterms.abstract | Поповиц, ЗС; Вукајловиц, ФР; | |
| dc.citation.volume | 59 | |
| dc.citation.issue | 8 | |
| dc.citation.spage | 5333 | |
| dc.citation.epage | 5340 | |
| dc.identifier.wos | 000078959900018 | |
| dc.identifier.doi | 10.1103/PhysRevB.59.5333 | |
| dc.type.version | publishedVersion | |
| dc.identifier.scopus | 2-s2.0-0000801309 |
