  Molybdenum disulfide (MoS2) is a layered semiconductor which has become very
important recently as an emerging electronic device material. Being an
intrinsic semiconductor the two-dimensional MoS2 has major advantages as the
channel material in field-effect transistors. In this work we determine the
electronic structure of MoS2 with the highly accurate screened hybrid
functional within the density functional theory (DFT) including the spin-orbit
coupling. Using the DFT electronic structures as target, we have developed a
single generic tight-binding (TB) model that accurately produces the electronic
structures for three different forms of MoS2 - bulk, bilayer and monolayer. Our
TB model is based on the Slater-Koster method with non-orthogonal sp3d5
orbitals, nearest-neighbor interactions and spin-orbit coupling. The TB model
is useful for atomistic modeling of quantum transport in MoS2 based electronic
devices.
