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X-ray diffraction and extended X-ray absorption fine structure study of epitaxial mixed ternary bixbyite PrxY2−xO3 (x = 0–2) films on Si (111)
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10.1063/1.4788982
/content/aip/journal/jap/113/4/10.1063/1.4788982
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/4/10.1063/1.4788982

Figures

Image of FIG. 1.
FIG. 1.

(a) XRD specular θ-2θ measurements of PrxY2−xO3 films with x = 0, 0.5, 0.7 and 2; (b) lattice parameters of PrxY2−xO3 as a function of cos2χ. The bulk lattice parameters of Pr2O3, Y2O3 and the silicon are marked by dotted lines. For better comparison with Si, the oxide lattice parameters are divided by 2. The Miller indices of the measured oxide reflections are given in the plots. These values have to be divided by 2 for the corresponding indices of Si reflections.

Image of FIG. 2.
FIG. 2.

Background subtracted raw EXAFS data of PrxY2−xO3 samples. (a) Y K-edge and (b) Pr LIII-edge.

Image of FIG. 3.
FIG. 3.

Magnitude of the Fourier Transforms of EXAFS presented in Fig. 2 (continuous lines) and corresponding fits (dashed lines). (a) Y K-edge and (b) Pr LIII-edge.

Image of FIG. 4.
FIG. 4.

Schematic of bixbyite RE2O3 structure showing two unique cation sites: 24 d site, where the O vacancy positions are on opposite corner of one cube face leading to a distorted cube and 8 b site, where the O vacancy positions are diagonally opposed thus resulting in an undistorted cube.

Image of FIG. 5.
FIG. 5.

Average cation-oxygen bond lengths; the green line reports the prediction of the virtual crystal approximation (VCA). Circles: Pr-O bond length; squares: Y-O bond length; crosses: cation-oxygen average distances calculated from XRD on the samples which follow Vegard's law.

Image of FIG. 6.
FIG. 6.

Cation-oxygen Debye-Waller factors (σ2). Circles: σ2(Pr-O); squares: σ2(Y-O).

Tables

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Table I.

Average Y K edge distances.

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Table II.

Y edge Debye-Waller factors.

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Table III.

Average Pr LIII edge distances.

Generic image for table
Table IV.

Pr edge Debye-Waller factors.

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/content/aip/journal/jap/113/4/10.1063/1.4788982
2013-01-23
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: X-ray diffraction and extended X-ray absorption fine structure study of epitaxial mixed ternary bixbyite PrxY2−xO3 (x = 0–2) films on Si (111)
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/4/10.1063/1.4788982
10.1063/1.4788982
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