Molecular Hubbard Hamiltonian: Field regimes and molecular species

The molecular Hubbard Hamiltonian (MHH) naturally arises for ultracold ground-state polar alkali-metal dimer molecules in optical lattices. We show that, unlike ultracold atoms, different molecules display different many-body phases due to intrinsic variances in molecular structure even when the molecular symmetry is the same. We also demonstrate a wide variety of experimental controls on (1)Sigma molecules via external fields, including applied static electric and magnetic fields, an ac microwave field, and the polarization and strength of optical lattice beams. We provide explicit numerical calculations of the parameters of the MHH, including tunneling and direct and exchange dipole-dipole interaction energies, for the molecules (LiCs)-Li-6-Cs-133, (NaK)-Na-23-K-40, (RbCs)-Rb-87-Cs-133, (KRb)-K-40-Rb-87, and (LiNa)-Li-6-Na-23 in weak and strong applied electric fields. As case studies of many-body physics, we use infinite-size matrix product state methods to explore the quantum phase transitions from the superfluid phase to half-filled and third-filled crystalline phases in one dimension.