Pressure-induced phase transition and bi-polaronic sliding in a hole-doped Cu_2O_3 ladder system

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

Vibrational edge modes in intrinsically heterogeneous doped transition metal oxides

By applying an unrestricted Hartree-Fock and a Random Phase approximations to a multiband Peierls-Hubbard Hamiltonian, we study the phonon mode structure in models of transition metal oxides in the presence of intrinsic nanoscale inhomogeneities induced by hole doping. We identify low frequency $local$ vibrational modes pinned to the sharp interfaces between regions of distinct electronic structure (doped and undoped) and separated in frequency from the band of extended phonons. A characteristic of these ``edge'' modes is that their energy is essentially insensitive to the doping level. We discuss the experimental manifestations of these modes in inelastic neutron scattering, and also in spin and charge excitation spectra.Comment: 5 pages, 4 figure

Local edge modes in doped cuprates with checkerboard polaronic heterogeneity

We study a periodic polaronic system, which exhibits a nanoscale superlattice structure, as a model for hole-doped cuprates with checkerboard-like heterogeneity, as has been observed recently by scanning tunneling microscopy (STM). Within this model, the electronic and phononic excitations are investigated by applying an unrestricted Hartree-Fock and a random phase approximation (RPA) to a multiband Peierls-Hubbard Hamiltonian in two dimensions