Charge and orbital order in RNiO3 (R=Nd,Y) by LSDA+U method
| dc.creator | Yamamoto, Susumu | |
| dc.creator | Fujiwara, Takeo | |
| dc.date | 2001-05-01 | |
| dc.date | 2001-10-20 | |
| dc.date.accessioned | 2026-07-07T08:47:31Z | |
| dc.date.available | 2026-07-07T08:47:31Z | |
| dc.description | Electronic structure of NdNiO3 and YNiO3 are calculated by using LSDA+U method with rotational invariance. No orbital order on Ni sites is observed in both systems but different charge orderings. In a small distorting system NdNiO3, all Ni ions are trivalent and oxygen sites have a particular ordering, both in charge and orbital. In a large distorting system YNiO3, the charge disproportionation occurs. The charge ordering stabilizes the asymmetry of the arrangement of the local magnetic moments around each nickel site without the Jahn-Teller distortion in both systems. The charge compensation occurs in the local projected density of states, which are discussed in details. | |
| dc.description | 4 pages, 4 figures | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0105010 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0105010 | |
| dc.identifier | J. Phys. Soc. Jpn., 71, 1226-1229 (2002) | |
| dc.identifier | doi:10.1143/JPSJ.71.1226 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/143622 | |
| dc.subject | Strongly Correlated Electrons | |
| dc.title | Charge and orbital order in RNiO3 (R=Nd,Y) by LSDA+U method | |
| dc.type | text |