dc.contributor.author | Meskine, Hakim, 1972- | eng |
dc.contributor.author | Satpathy, Sashi Sekhar, 1956- | eng |
dc.date.issued | 2005 | eng |
dc.description.abstract | The electronic structure and magnetism in the sodium nickelate NaNiO2 in the low- temperature phase is studied from density-functional calculations using the linear muffin-tin orbitals method. An antiferromagnetic solution with a magnetic moment of 0.7μB per Ni ion is found. A ferrodistorsive orbital ordering is shown to occur due to the Jahn-Teller distortion around the Ni+3 ion in agreement with the orbital ordering inferred from neutron diffraction. While the intralayer exchange is ferromagnetic, the interlayer exchange is weakly antiferromagnetic, mediated by a long Ni-O-Na-O-Ni superexchange path. | eng |
dc.description.sponsorship | The authors thank Z. S. Popovic for valuable discussions and acknowledge financial support by the U.S. Department of Energy under Contact No. DE-FG02-00ER45818. | eng |
dc.identifier.citation | J. Appl. Phys. 97, 10A314 (2005); (3 pages) | eng |
dc.identifier.issn | 0021-8979 | eng |
dc.identifier.uri | http://hdl.handle.net/10355/7229 | eng |
dc.language | English | eng |
dc.publisher | American Institute of Physics | eng |
dc.relation.ispartofcollection | University of Missouri--Columbia. College of Arts and Sciences. Department of Physics and Astronomy. Physics and Astronomy publications | eng |
dc.source.uri | http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JAPIAU00009700001010A314000001&idtype=cvips&prog=normal&doi=10.1063/1.1854414 | eng |
dc.subject | antiferromagnetics | eng |
dc.subject | exchange and superexchange interactions | eng |
dc.subject | local density approximation | eng |
dc.subject.lcsh | Density functionals | eng |
dc.subject.lcsh | Ferromagnetic materials | eng |
dc.title | Ferrodistorsive orbital ordering in the layered nickelate NaNiO2: A density-functional study | eng |
dc.type | Article | eng |