Abstract
Cation intermixing at the n-type polar LaGaO 3 /SrTiO 3 (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 3d xy orbitals under cation intermixing is found, reflecting a complete suppression of the two-dimensional electron gas present at the clean interface.
Original language | English (US) |
---|---|
Journal | Scientific Reports |
Volume | 3 |
Issue number | 1 |
DOIs | |
State | Published - Dec 3 2013 |
ASJC Scopus subject areas
- General