The structure and electronic density of states in layered are investigated using density functional theory. For the system we predict a complex potential-energy surface, formed by close-lying single-well and double-well potentials, which give rise to the tetragonal-to-orthorhombic structural transition and the appearance of magnetic order. For we demonstrate that transition temperatures to the superconducting state and their dependence on correlate well with the calculated magnitude of the electronic density of states at the Fermi energy.
- Received 20 October 2008
©2008 American Physical Society