Designing hetero-interfaces toward new optoelectronic functionalities using large-scale computations

https://phys.org/news/2022-07-hetero-interfaces-optoelectronic-functionalities-large-scale.html

"density functional theory based electric field dependent band-structure calculations and attributed this observation to the nature of band alignment at the interface. Together, they showed that a change in band alignment from type-II to type-III resulted in a change in polarity of photocurrent from positive to negative... responsivity and response time crucial metrics... high negative responsivity and fast response time... observed"