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Bose-Bose mixtures in an optical lattice: First-order superfluid-insulator transition and elementary excitations

We study ground-state phase diagrams and excitation spectra of Bose-Bose mixtures in an optical lattice by applying the Gutzwiller approximation to the two-component Bose-Hubbard model. A case of equal hoppings and equal intra-component interactions for both components is considered. Due to the existence of inter-component interaction, there appear several quantum phases, such as the superfluid, paired superfluid, and counterflow superfluid phases. We find that the transition from superfluid (SF) to Mott insulator (MI) with even filling factors can be of the first order for a wide range of the chemical potential. We calculate the excitation spectra as a useful probe to identify the quantum phases and the SF-to-MI transitions. In the excitation spectra of the SF phase, there are two gapless modes and a few gapful modes, which respectively correspond to phase and amplitude fluctuations of the order parameters. At the SF-to-MI transition point, we show that the energy gaps of certain amplitude modes reach zero for the second-order transition while they remain finite for the first-order one. Since the excitation spectrum can be measured by the Bragg scattering, we calculate the dynamical structure factor by using the linear response theory. We consider three types of density fluctuations, and show that the density fluctuations are coupled to different excitation branches in different quantum phases.