Nature of magnetism in Ca$_3$Co$_2$O$_6$
| dc.creator | Wu, Hua | |
| dc.creator | Haverkort, M. W. | |
| dc.creator | Hu, Z. | |
| dc.creator | Khomskii, D. I. | |
| dc.creator | Tjeng, L. H. | |
| dc.date | 2005-04-19 | |
| dc.date | 2005-09-15 | |
| dc.date.accessioned | 2026-07-07T06:33:24Z | |
| dc.date.available | 2026-07-07T06:33:24Z | |
| dc.description | We find using LSDA+U band structure calculations that the novel one-dimensional cobaltate Ca$_3$Co$_2$O$_6$ is not a ferromagnetic half-metal but a Mott insulator. Both the octahedral and the trigonal Co ions are formally trivalent, with the octahedral being in the low-spin and the trigonal in the high-spin state. The inclusion of the spin-orbit coupling leads to the occupation of the minority-spin $d_{2}$ orbital for the unusually coordinated trigonal Co, producing a giant orbital moment (1.57 $μ_{B}$). It also results in an anomalously large magnetocrystalline anisotropy (of order 70 meV), elucidating why the magnetism is highly Ising-like. The role of the oxygen holes, carrying an induced magnetic moment of 0.13 $μ_{B}$ per oxygen, for the exchange interactions is discussed. | |
| dc.description | 5 pages, 4 figures, and 1 table | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0504490 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0504490 | |
| dc.identifier | Phys. Rev. Lett. 95, 186401 (2005) | |
| dc.identifier | doi:10.1103/PhysRevLett.95.186401 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/99180 | |
| dc.subject | Strongly Correlated Electrons | |
| dc.subject | Materials Science | |
| dc.title | Nature of magnetism in Ca$_3$Co$_2$O$_6$ | |
| dc.type | text |