A study of Peierls instabilities for a two-dimensional t-t' model

Abstract

In this paper we study Peierls instabilities for a half-filled two-dimensional tight-binding model with nearest-neighbour hopping $t$ and next nearest-neighbour hopping $t'$ at zero and finite temperatures. Two dimerization patterns corresponding to the same phonon vector $(π, π)$ are considered to be realizations of Peierls states. The effect of imperfect nesting introduced by $t'$ on the Peierls instability, the properties of the dimerized ground state, as well as the competition between two dimerized states for each $t'$ and temperature $T$, are investigated. It is found: (i). The Peierls instability will be frustrated by $t'$ for each of the dimerized states. The Peierls transition itself, as well as its suppression by $t'$, may be of second- or first-order. (ii). When the two dimerized states are considered jointly, one of them will dominate the other depending on parameters $t'$ and $T$. Two successive Peierls transitions, that is, the system passing from the uniform state to one dimerized state and then to the other take place with decrease of temperature for some $t'$ values. Implications of our results to real materials are discussed.

21 pages with 11 eps figures, to appear in Eur. Phys. J. B