Sine-square deformed mean-field theory

Abstract

We develop a theory that accurately evaluates quantum phases with any large-scale emergent structures, including incommensurate density waves or topological textures without a priori knowing their periodicity. We spatially deform a real-space mean-field Hamiltonian on a finite-size cluster using a sine-squared envelope function with zero energy at system edges. The wave functions become insensitive to the misfit of the lattice and ordering periods. We successfully extract the ordering wave vectors by our deformed Fourier transformation, updating the previous results for hole-doped and spin-orbit-coupled Mott insulators. The method further enables the evaluation of a charge gap beyond the mean-field level.