Indirect bandgap of hBN-encapsulated monolayer MoS2

We present measurements of temperature dependence of photoluminescence intensity from monolayer MoS2 encapsulated by hexagonal boron nitride (hBN) flakes. The obtained temperature dependence shows an opposite trend to that of previously observed in a monolayer MoS2 on a SiO2 substrate. Ab-initio bandstructure calculations have revealed that monolayer MoS2 encapsulated by hBN flakes have no longer a direct-gap semiconductor but an indirect-gap semiconductor. This is caused by orbital hybridization between MoS2 and hBN, which leads to upward shift of gamma-valley of MoS2. This work shows an important implication that the hBN-encapsulated structures used to address intrinsic properties of two-dimensional crystals can alter basic properties encapsulated materials.