科研之友
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摘要
By means of a Wannier projection within the framework of density functional theory, we are able to identify the modified c-axis hopping and the energy mismatch between the cation bands as the main source of the t(2g) splitting around the Gamma-point for oxide heterostructures, excluding previously proposed mechanisms such as Jahn-Teller distortions or electric-field asymmetries. Interfacing LaAlO3, LaVO3, SrVO3 and SrNbO3 with SrTiO3 we show how to tune this orbital splitting, designing heterostructures with more d(xy) electrons at the interface. Such an "orbital engineering" is the key for controlling the physical properties at the interface of oxide heterostructures.
- 出版日期2012-8
