Abstract
We develop a theory that explains the low-energy optical excitations near 1.5eV observed by optical experiments in NiPS_{3}. Using abinitio methods, we construct a two-band Hubbard model for two effective Ni orbitals. The dominant effective hopping corresponds to third-nearest neighbors. This model exhibits triplet-singlet excitations of energy near 2 times the Hund exchange. We derive an effective model for the movement of two singlets in an antiferromagnetic background, that we solve using a generalized self-consistent Born approximation, disentangling the nature of these novel excitations, which move coherently as "singlet polarons".
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