Kekul\'e valence bond order in the Hubbard model on the honeycomb lattice with possible lattice distortions for graphene

Abstract

We investigate if and how the valence-bond-solid (VBS) state emerges in the Hubbard model on the honeycomb lattice when the Peierls-type electron-lattice coupling is introduced. We consider all possible lattice-distortion patterns allowed for this lattice model for graphene which preserve the reflection symmetry and determine the most stable configuration in the adiabatic limit by using an unbiased quantum Monte Carlo method. The VBS phase with Kekul\'e dimerization is found to appear as an intermediate phase between a semimetal and an antiferromagnetic Mott insulator for a moderately rigid lattice. This implies that the undistorted semimetallic graphene can be driven into the VBS phase by applying strain, accompanied by the single-particle excitation gap opening.