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Atomistic geometry and bonding characteristics at the Sr2FeTaO6/SrTiO3 interface
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View: Figures


Image of FIG. 1.
FIG. 1.

(a) Cross-sectional bright-field TEM image of the annealed interface system. Selected-area diffraction pattern obtained at (b) substrate and (c) interfacial region. The additional small dots (a couple of them indicated by arrows) originate from the double perovskite thin films.

Image of FIG. 2.
FIG. 2.

(a) Energetically stable atomic model of the interface between Ta-terminated SFTO and SrO-terminated STO. (b) HAADF and (c) ABF STEM image of SFTO/STO interface viewed from [ 10] direction. Interface location is indicated with a dashed and horizontal line. (d) Planar-averaged density difference along [001] direction for unrelaxed (upper) and (b) relaxed (lower) SFTO/STO interface. The location of respective atom is shown as well for easy reference and the interface position is set to zero.

Image of FIG. 3.
FIG. 3.

PDOS of selected atomic layers of (a) STO and (b) SFCO for the relaxed interface between Ta-terminated SFTO and SrO-terminated STO. The first layer is the atomic layer proximal to the interface. The Fermi level is set to zero and denoted by a vertical line.

Image of FIG. 4.
FIG. 4.

Contour plots of charge densities (left two) and their difference (right two) for the stable interface taken along (100) plane. Difference in charge density shows a redistribution of charge in the interface relative to the isolated systems. The interface is indicated by a horizontal line and the atoms that intersect the contour plane are labeled. The upper scale denotes charge magnitude in the left two panels, while the lower one in the right two panels.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Atomistic geometry and bonding characteristics at the Sr2FeTaO6/SrTiO3 interface