Computational Study of MoS₂/HfO₂ Defective Interfaces for Nanometer-Scale Electronics.

ABSTRACT: Atomic structures and electronic properties of MoS₂/HfO₂ defective interfaces are investigated extensively for future field-effect transistor device applications. To mimic the atomic layer deposition growth under ambient conditions, the impact of interfacial oxygen concentration on the MoS₂/HfO₂ interface electronic structure is examined. Then, the effect on band offsets (BOs) and the thermodynamic stability of those interfaces is investigated and compared with available relevant experimental data. Our results show that the BOs can be modified up to 2 eV by tuning the oxygen content through, for example, the relative partial pressure. Interfaces with hydrogen impurities as well as various structural disorders were also considered, leading to diff

SUBMITTER: Kc S 

PROVIDER: S-EPMC6641027 | biostudies-literature | 2017 Jun

REPOSITORIES: biostudies-literature