Resonating valence bond pairing energy in graphene by quantum Monte Carlo

We determine the resonating-valence-bond (RVB) state in graphene using real-space quantum Monte Carlo with correlated variational wave functions. Variational and diffusion quantum Monte Carlo (DMC) calculations with Jastrow-Slater-determinant and Jastrow-antisymmetrized-geminal-power ansatze are employed to evaluate the RVB pairing energy. Using a rectangular graphene sample that lacks π/3 rotational symmetry, we found that the single-particle energy gap near the Fermi level depends on the system size along the x-direction. The gap vanishes when the length satisfies L_x=3nsqrt{3}d, where n is an integer and d is the carbon-carbon bond length, otherwise, the system, exhibits a finite gap. Our DMC results show no stable RVB pairing in the zero-gap case, whereas the opening of a finite gap near the Fermi level stabilizes the electron pairing. The DMC predicted absolute value of pairing energy at the thermodynamic limit for a finite-gap system is sim 0.48(1) mHa/atom. Our results reveal a feometry-driven electron pairing mechanism in the confined graphene nanostructure.