EMERGENCE OF TWO-DIMENSIONAL ELECTRON GAS AT THE INTERFACES OF PEROVSKITES

Abstract

Our study introduces first-principle calculations of a multi-layered semiconductor LaInO3 (LIO) sits on top of BaSnO3 (BSO) substrate utilizing density functional theory and hybrid functionals of the electronic properties . Initially, we propose a SnO2 layer in BSO bonds with a LaO layer in LIO. Our findings reveal that atomic adjustments significantly influence the electronic characteristics of the heterostructure. We found that the band gap of the heterostructure reduces with the increasing number 𝑛 of LIO unit cells. A LIO creates a two-dimensional electron gas at the interface when a single LIO unit cell sits on top of BSO. Consequently, the transformation from insulator to metal occurs when four unit cells of LIO sit on top of the BSO substrate.