![Sample our Physical Sciences journals, sign in here to start your FREE access for 14 days]({"type":"image" , "src" : "/sda/110819/TOC-Subject-Sample-2021-Physical-Sciences.jpg"})
Abstract
We investigate the structural and electronic properties of heterostructure composed of two insulators: ferroelectric BaTiO3 and dielectric SrTiO3, by means of ab initio calculations. Both components of the heterostructure are non-polar in the simple ionic limit. We consider three types of BaTiO3 polarization: non-polar, dipoles towards the interface, and dipoles towards the surface. For the non-polar heterostructure, we obtain that system remains an insulator up to eight BaTiO3 overlayers. However, we show that polarization in the BTO slab induces conductivity. We analyze an impact of ferroelectric polarization onto conducting properties, as well as a possibility of switchable and controllable metal-insulator transition.
Additional information
Funding
The work is performed according to the Russian Government Program of Competitive Growth of Kazan Federal University. This work was funded by the subsidy allocated to Kazan Federal University for the state assignment in the sphere of scientific activities (project No. 3.9779.2017/8.9). The work of I. I. Piyanzina, D. P. Pavlov, and R. R. Zagidullin was funded by RFBR according to the research project No. 18-32-00595. The research is carried out using the equipment of the shared research facilities of HPC computing resources at Lomonosov Moscow State University.