Ab Initio Studies of Exciton g Factors: Monolayer Transition Metal Dichalcogenides in Magnetic Fields

The effect of a magnetic field on the optical absorption in semiconductors has been measured experimentally and modeled theoretically for various systems in previous decades. We present a new first-principles approach to systematically determine the response of excitons to magnetic fields, i.e., exciton g factors. By utilizing the GW-Bethe-Salpeter equation methodology we show that g factors extracted from the Zeeman shift of electronic bands are strongly renormalized by many-body effects which we trace back to the extent of the excitons in reciprocal space. We apply our approach to monolayers of transition metal dichalcogenides (MoS_{2}, MoSe_{2}, MoTe_{2}, WS_{2}, and WSe_{2}) with strongly bound excitons for which g factors are weakened by about 30%.