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EnglishA polaronic Hamiltonian is obtained for a dimer of length a, including an Einstein phonon of frequency Ω, a Holstein coupling g0, and all the electronic one- and two-body terms consistent with a single orbital per site (the latter evaluated in terms of Wannier functions built from Gaussian atomic orbitals). Its ground state for given a, g0, and Ω is identified by independent and simultaneous optimization of the electronic and phononic parameters. As a varies, we find discontinuous changes of both electronic and phononic states, with interesting physical implications.
| Titolo: | The Holstein-Hubbard dimer of variable length as the building block of the CuO plane: Electronic and phononic transitions |
| Autori: | |
| Data di pubblicazione: | 1997 |
| Rivista: | |
| Abstract: | A polaronic Hamiltonian is obtained for a dimer of length a, including an Einstein phonon of frequency Ω, a Holstein coupling g0, and all the electronic one- and two-body terms consistent with a single orbital per site (the latter evaluated in terms of Wannier functions built from Gaussian atomic orbitals). Its ground state for given a, g0, and Ω is identified by independent and simultaneous optimization of the electronic and phononic parameters. As a varies, we find discontinuous changes of both electronic and phononic states, with interesting physical implications. |
| Handle: | http://hdl.handle.net/11386/4527068 |
| Appare nelle tipologie: | 1.1.1 Articolo su rivista con DOI |
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