Pulikkotil, J. J. (2020) A spin-orbit coupling-induced two-dimensional electron gas in BiAlO3/SrTiO3 heterostructures. Physical Chemistry Chemical Physics, 22 (5). pp. 3122-3127. ISSN 1463-9076

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Both LaAlO3 and BiAlO3 are isostructural, isoelectronic and band insulators. Therefore, in analogy to the LaAlO3/SrTiO3 heterostructure, a quasi two dimensional electron gas (q-2DEG) could be anticipated in BiAlO3/SrTiO3 heterostructures. Our density functional theory based scalar relativistic calculations show that BiAlO3/SrTiO3 heterostructures remain insulating for a BiAlO3 film thickness up to 5 unit cells. However, with spin orbit coupling included in the crystal Hamiltonian, we find a thickness dependent insulator to metal transition for BiAlO3/SrTiO3 heterostructures. However, unlike the Ti3+/Ti4+ electronic reconstruction in LaAlO3/SrTiO3, the conductivity in BiAlO3/SrTiO3 is found to originate from the subsurface Bi 6p states. The results suggest that the properties of q-2DEG in BiAlO3/SrTiO3 can be controlled using an external electric field, leading to a wide range of solid state applications.

Item Type: Article
Additional Information: Copyright for this article belongs to M/s Royal Society of Chemistry.
Subjects: Chemistry
Chemistry > Physical Chemistry
Physical Chemistry/Chemical Physics > Atomic and Molecular Collision Processes
Depositing User: Mr. Yogesh Joshi
Date Deposited: 09 Nov 2021 11:09
Last Modified: 09 Nov 2021 11:09
URI: http://npl.csircentral.net/id/eprint/4571

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