LaCoO3 - from first principles
| dc.creator | Radwanski, R. J. | |
| dc.creator | Ropka, Z. | |
| dc.date | 2006-03-23 | |
| dc.date.accessioned | 2026-07-07T07:04:54Z | |
| dc.date.available | 2026-07-07T07:04:54Z | |
| dc.description | We have performed calculations of the electronic structure of LaCoO3 from first principles, assuming the atomistic construction of matter and the electrostatic origin of the crystal-field splitting. In our atomic-like approach QUASST the d electrons of the Co3+ ion in LaCoO3 form the highly-correlated atomic-like system 3d6 with the singlet ground state 1A1 (an octahedral subterm from the 1I term) and the excited octahedral subterm 5T2g of the 5D term. In the spin-orbital space, being physically adequate, this high-spin state is Jahn-Teller active. We take the ESR experiment of Noguchi et al., Phys. Rev. B 66, 094404 (2002), as confirmation of the existence of the discrete electronic structure for 3$d$ electron states in LaCoO3 in the meV scale postulated in QUASST. | |
| dc.description | 4 pages, 1 figure embedded | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0603619 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0603619 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/109490 | |
| dc.subject | Strongly Correlated Electrons | |
| dc.title | LaCoO3 - from first principles | |
| dc.type | text |