Quasiparticle band structure calculation of monolayer, bilayer, and bulk MoS 2

By T. Cheiwchanchamnangij, W. Lambrecht. 2012

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Spin-orbit coupling, quantum dots, and qubits in monolayer transition metal dichalcogenides (2013, background): “If one neglects the chalcogenide p orbital admixing to the CB, these are the only terms that can explain the spin splitting of the CB, which is found in FP calculations [26,32,36,66,67], and this is the motivation to consider these second-order terms in Ref.”
Excitons in atomically thin 2D semiconductors and their applications (2017, background): “In addition, theoretical estimates put the true quasiparticle band gap over 500 meV above the exciton emission energy, nearly two orders larger than traditional exciton binding energies [20].”
Excitons in van der Waals heterostructures: The important role of dielectric screening (2015, result): “(10) becomes meaningless in this case, which is the reason why relatively different values for M have been reported for monolayer MoS2 in the recent literature [4,24,25].”