Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2005-06-14
Phys. Rev. B 73, 094514 (2006)
Physics
Condensed Matter
Strongly Correlated Electrons
Scientific paper
10.1103/PhysRevB.73.094514
We study a hole-doped two-leg ladder system including metal ions, oxygen, and electron-lattice interaction, as a model for Sr_{14-x}Ca_xCu_{24}O_{41-\delta}. Single- and bi-polaronic states at 1/4-hole doping are modeled as functions of pressure by applying an unrestricted Hartree-Fock approximation to a multiband Peierls-Hubbard Hamiltonian. We find evidence for a pressure-induced phase transition between single-polaron and bi-polaron states. The electronic and phononic excitations in those states, including distinctive local lattice vibrational modes, are calculated by means of a direct-space Random Phase approximation. Finally, as a function of pressure, we identify a transition between site- and bond-centered bi-polarons, accompanied by a soft mode and a low-energy charge-sliding mode. We suggest comparisons with available experimented data.
Bishop Alan R.
Kaneshita Eiji
Martin Ivar
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