Orbital polarization in and
Institute of Metal Physics, GSP-170 - Ekaterinburg, Russia
2 Laboratory of Applied and Solid State Physics, Materials Science Centre, University of Groningen - Nijenborgh 4, 9747 AG Groningen, The Netherlands
Accepted: 22 September 1998
We present a band structure study of orbital polarization and ordering in the two-dimensional triangular-lattice transition metal compounds and . It is found that while in the degeneracy of orbitals is lifted due to the trigonal symmetry of the crystal and the strong on-site Coulomb interaction, in orbital degeneracy remains and orbital ordering corresponding to the trimerization of the two-dimensional lattice develops.
PACS: 71.15.Mb – Density functional theory, local density approximation / 71.27.+a – Strongly correlated electron systems; heavy fermions / 71.20.-b – Electron density of states and band structure of crystalline solids
© EDP Sciences, 1998