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Title: X-ray diffraction and extended X-ray absorption fine structure study of epitaxial mixed ternary bixbyite Pr{sub x}Y{sub 2-x}O{sub 3} (x = 0-2) films on Si (111)

Abstract

Ternary single crystalline bixbyite Pr{sub x}Y{sub 2-x}O{sub 3} 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 L{sub III} 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 Pr{sub x}Y{sub 2-x}O{sub 3} 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.

Authors:
; ;  [1];  [2];  [3];  [1];  [2]
  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)
Publication Date:
OSTI Identifier:
22102239
Resource Type:
Journal Article
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 113; Journal Issue: 4; Other Information: (c) 2013 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE; ABSORPTION; ABSORPTION SPECTROSCOPY; APPROXIMATIONS; CRYSTAL GROWTH; CRYSTALLOGRAPHY; ELECTRONIC STRUCTURE; FILMS; FINE STRUCTURE; LAYERS; MOLECULAR BEAM EPITAXY; MONOCRYSTALS; OXYGEN COMPOUNDS; PRASEODYMIUM COMPOUNDS; STOICHIOMETRY; VEGARD LAW; X RADIATION; X-RAY DIFFRACTION; X-RAY SPECTROSCOPY; YTTRIUM COMPOUNDS

Citation Formats

Niu, G., Zoellner, M. H., Zaumseil, P., Pouliopoulos, A., D'Acapito, F., Schroeder, T., BTU Cottbus, Konrad-Zuse-Str. 1, 03046 Cottbus, Boscherini, F., and Consiglio Nazionale delle Ricerche, Istituto Officina dei Materiali, Operative Group in Grenoble, c/o European Synchrotron Radiation Facility, B.P. 220, 38043 Grenoble. X-ray diffraction and extended X-ray absorption fine structure study of epitaxial mixed ternary bixbyite Pr{sub x}Y{sub 2-x}O{sub 3} (x = 0-2) films on Si (111). United States: N. p., 2013. Web. doi:10.1063/1.4788982.
Niu, G., Zoellner, M. H., Zaumseil, P., Pouliopoulos, A., D'Acapito, F., Schroeder, T., BTU Cottbus, Konrad-Zuse-Str. 1, 03046 Cottbus, Boscherini, F., & Consiglio Nazionale delle Ricerche, Istituto Officina dei Materiali, Operative Group in Grenoble, c/o European Synchrotron Radiation Facility, B.P. 220, 38043 Grenoble. X-ray diffraction and extended X-ray absorption fine structure study of epitaxial mixed ternary bixbyite Pr{sub x}Y{sub 2-x}O{sub 3} (x = 0-2) films on Si (111). United States. doi:10.1063/1.4788982.
Niu, G., Zoellner, M. H., Zaumseil, P., Pouliopoulos, A., D'Acapito, F., Schroeder, T., BTU Cottbus, Konrad-Zuse-Str. 1, 03046 Cottbus, Boscherini, F., and Consiglio Nazionale delle Ricerche, Istituto Officina dei Materiali, Operative Group in Grenoble, c/o European Synchrotron Radiation Facility, B.P. 220, 38043 Grenoble. Mon . "X-ray diffraction and extended X-ray absorption fine structure study of epitaxial mixed ternary bixbyite Pr{sub x}Y{sub 2-x}O{sub 3} (x = 0-2) films on Si (111)". United States. doi:10.1063/1.4788982.
@article{osti_22102239,
title = {X-ray diffraction and extended X-ray absorption fine structure study of epitaxial mixed ternary bixbyite Pr{sub x}Y{sub 2-x}O{sub 3} (x = 0-2) films on Si (111)},
author = {Niu, G. and Zoellner, M. H. and Zaumseil, P. and Pouliopoulos, A. and D'Acapito, F. and Schroeder, T. and BTU Cottbus, Konrad-Zuse-Str. 1, 03046 Cottbus and Boscherini, F. and Consiglio Nazionale delle Ricerche, Istituto Officina dei Materiali, Operative Group in Grenoble, c/o European Synchrotron Radiation Facility, B.P. 220, 38043 Grenoble},
abstractNote = {Ternary single crystalline bixbyite Pr{sub x}Y{sub 2-x}O{sub 3} 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 L{sub III} 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 Pr{sub x}Y{sub 2-x}O{sub 3} 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.},
doi = {10.1063/1.4788982},
journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 4,
volume = 113,
place = {United States},
year = {2013},
month = {1}
}