| 초록 |
MoS2 is a technically important material for future applications such as electronic and optoelectronic devices thanks to the atomically layered structure without any dangling bonds, good mobility, high current on/off ratio, large optical absorption. Although many efforts have been made, stable and controllable achievement of p-properties that are prerequisite for most applications is a still major issue in MoS2. In this work, I use mechanical strains to make progress on the problem in monolayer MoS2. Using first-principles hybrid functional calculations, I found that strain can enhance p-doping when Nb and Ta are considered, while it suppresses the formation of sulfur vacancies that could be potential hole compensators. |
