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Moir\'e patterns of transition metal dichalcogenide (TMD) heterobilayers haveproven to be an ideal platform to host unusual correlated electronic phases,emerging magnetism, and correlated exciton physics. While the existence ofnovel moir\'e excitonic states is established through optical measurements, themicroscopic nature of these states is still poorly understood, often relying onempirically fit models. Here, combining large-scale first-principles GW-BSEcalculations and micro-reflection spectroscopy, we identify the nature of theexciton resonances in WSe$_2$/WS$_2$ moir\'e superlattices, discovering asurprisingly rich set of moir\'e excitons that cannot be even qualitativelycaptured by prevailing continuum models. Our calculations reveal moir\'eexcitons with distinct characters, including modulated Wannier excitons andpreviously unindentified intralayer charge-transfer excitons. Signatures ofthese distinct excitonic characters are confirmed experimentally via the uniquecarrier-density and magnetic-field dependences of different moir\'e excitonresonances. Our study highlights the highly non-trivial exciton states that canemerge in TMD moir\'e superlattices, and suggests novel ways of tuningmany-body physics in moir\'e systems by engineering excited-states withspecific spatial characters.

Nature of novel moir\'e exciton states in WSe$_2$/WS$_2$ heterobilayers