Lowest energy states of hubbard ladder model with infinite electron repulsion

Publication date: Available online 23 March 2017 Source:Computational and Theoretical Chemistry Author(s): V.O. Cheranovskii, E.V. Ezerskaya, D.J. Klein, V.V. Tokarev We apply cyclic spin permutation formalism to the study the lowest energy states of the infinite-repulsion Hubbard model on n-leg ladders. For ladder fragments with the electron densities ρ =1 – (2n)–1 we show that the alternation in the values of one-site energies for neighboring rungs leads to the stabilization of the ground state of ladder fragments with the maximal value of the total spin (S 0=S max) against the increase of the interactions between rungs. The decrease of the electron density may lead to the destruction of this state. For two leg ladder fragments at the density ρ>0.8 we find a possibility of the transition between the ground states with S 0=S max and S 0=S max -1 with the decrease of the interaction between legs. Graphical abstract

Source: Computational and Theoretical Chemistry - March 24, 2017 Category: Chemistry Source Type: research