Electronic states, Mott localization, electron-lattice coupling, and dimerization for correlated one-dimensional systems. II
| dc.creator | Rycerz, Adam | |
| dc.creator | Spalek, Jozef | |
| dc.date | 2001-05-29 | |
| dc.date | 2001-05-31 | |
| dc.date.accessioned | 2026-07-07T02:41:35Z | |
| dc.date.available | 2026-07-07T02:41:35Z | |
| dc.description | We discuss physical properties of strongly correlated electron states for a linear chain obtained with the help of the recently proposed new method combining the exact diagonalization in the Fock space with an ab initio readjustment of the single-particle orbitals in the correlated state. The method extends the current discussion of the correlated states since the properties are obtained with varying lattice spacing. The finite system of N atoms evolves with the increasing interatomic distance from a Fermi-liquid-like state into the Mott insulator. The criteria of the localization are discussed in detail since the results are already convergent for N>=8. During this process the Fermi-Dirac distribution gets smeared out, the effective band mass increases by ~50%, and the spin-spin correlation functions reduce to those for the Heisenberg antiferromagnet. Values of the microscopic parameters such as the hopping and the kinetic-exchange integrals, as well as the magnitude of both intra- and inter-atomic Coulomb and exchange interactions are calculated. We also determine the values of various local electron-lattice couplings and show that they are comparable to the kinetic exchange contribution in the strong-correlation limit. The magnitudes of the dimerization and the zero-point motion are also discussed. Our results provide a canonical example of a tractable strongly correlated system with a precise, first-principle description as a function of interatomic distance of a model system involving all hopping integrals, all pair-site interactions, and the exact one-band Wannier functions. | |
| dc.description | 18 pages, REVTEX, submitted to Phys. Rev. B | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0105574 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0105574 | |
| dc.identifier | Phys. Rev. B 65, 035110 (2002) | |
| dc.identifier | doi:10.1103/PhysRevB.65.035110 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/17802 | |
| dc.subject | Strongly Correlated Electrons | |
| dc.title | Electronic states, Mott localization, electron-lattice coupling, and dimerization for correlated one-dimensional systems. II | |
| dc.type | text |