Abstract
Density-functional studies of the perovskite structure are reported using the full experimental orthorhombic crystal structure as well as a structure with relaxed atomic coordinates. A very soft ferromagnetic ground state is found as well as flat bands near the Fermi energy, that couple to the magnetism. As in the ruthenate magnets, a very large oxygen contribution to the magnetic moments is found. In light of experimental data for this compound, it is suggested that is near a quantum critical point, and that the properties are substantially affected by quantum critical fluctuations.
- Received 29 August 2002
DOI:https://doi.org/10.1103/PhysRevB.67.054507
©2003 American Physical Society