Ternary single crystalline bixbyite PrxY2−xO3 films over the full stoichiometry range (x = 0–2) have been epitaxially grown on Si (111) with tailored electronic and crystallographic structure. In this work, we present a detailed study of their local atomic environment by extended X-ray absorption fine structure at both Y K and Pr LIII edges, in combination with complementary high resolution x-ray diffraction measurements. The local structure exhibits systematic variations as a function of the film composition. The cation coordination in the second and third coordination shells changes with composition and is equal to the average concentration, implying that the PrxY2−xO3 films are indeed fully mixed and have a local bixbyite structure with random atomic-scale ordering. A clear deviation from the virtual crystal approximation for the cation-oxygen bond lengths is detected. This demonstrates that the observed Vegard's law for the lattice variation as a function of composition is based microscopically on a more complex scheme related to local structural distortions which accommodate the different cation–oxygen bond lengths.
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28 January 2013
Research Article|
January 23 2013
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)
G. Niu;
G. Niu
1
IHP
, Im Technologiepark 25, 15236 Frankfurt (Oder), Germany
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M. H. Zoellner;
M. H. Zoellner
1
IHP
, Im Technologiepark 25, 15236 Frankfurt (Oder), Germany
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P. Zaumseil;
P. Zaumseil
1
IHP
, Im Technologiepark 25, 15236 Frankfurt (Oder), Germany
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A. Pouliopoulos;
A. Pouliopoulos
2
Department of Physics and Astronomy, University of Bologna
, viale C. BertiPichat 6/2, 40127 Bologna, Italy
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F. d'Acapito;
F. d'Acapito
3
Consiglio Nazionale delle Ricerche, Istituto Officina dei Materiali, Operative Group in Grenoble
, c/o European Synchrotron Radiation Facility, B.P. 220, 38043 Grenoble, France
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T. Schroeder;
T. Schroeder
1
IHP
, Im Technologiepark 25, 15236 Frankfurt (Oder), Germany
4
BTU Cottbus
, Konrad-Zuse-Str. 1, 03046 Cottbus, Germany
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F. Boscherini
F. Boscherini
2
Department of Physics and Astronomy, University of Bologna
, viale C. BertiPichat 6/2, 40127 Bologna, Italy
3
Consiglio Nazionale delle Ricerche, Istituto Officina dei Materiali, Operative Group in Grenoble
, c/o European Synchrotron Radiation Facility, B.P. 220, 38043 Grenoble, France
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G. Niu
1
M. H. Zoellner
1
P. Zaumseil
1
A. Pouliopoulos
2
F. d'Acapito
3
T. Schroeder
1,4
F. Boscherini
2,3
1
IHP
, Im Technologiepark 25, 15236 Frankfurt (Oder), Germany
2
Department of Physics and Astronomy, University of Bologna
, viale C. BertiPichat 6/2, 40127 Bologna, Italy
3
Consiglio Nazionale delle Ricerche, Istituto Officina dei Materiali, Operative Group in Grenoble
, c/o European Synchrotron Radiation Facility, B.P. 220, 38043 Grenoble, France
4
BTU Cottbus
, Konrad-Zuse-Str. 1, 03046 Cottbus, Germany
J. Appl. Phys. 113, 043504 (2013)
Article history
Received:
November 22 2012
Accepted:
January 07 2013
Citation
G. Niu, M. H. Zoellner, P. Zaumseil, A. Pouliopoulos, F. d'Acapito, T. Schroeder, F. Boscherini; 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). J. Appl. Phys. 28 January 2013; 113 (4): 043504. https://doi.org/10.1063/1.4788982
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