title: Suppression of the two-dimensional electron gas in LaGaO3/SrTiO3 by cation intermixing.
abstract: Cation intermixing at the n-type polar LaGaO3/SrTiO3 (001) interface is investigated by first principles calculations. Ti⇔Ga, Sr⇔La, and SrTi⇔LaGa intermixing are studied in comparison to each other, with a focus on the interface stability. We demonstrate in which cases intermixing is energetically favorable as compared to a clean interface. A depopulation of the Ti 3dxy orbitals under cation intermixing is found, reflecting a complete suppression of the two-dimensional electron gas present at the clean interface.
authors.affiliation: KAUST, Physical Science & Engineering Division, Thuwal 23955-6900, Kingdom of Saudi Arabia.
authors.forename: S
authors.initials: S
authors.lastname: Nazir
authors.forename: B
authors.initials: B
authors.lastname: Amin
authors.forename: U
authors.initials: U
authors.lastname: Schwingenschlögl