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Atomic disorder of Li 0.5 Ni 0.5 O thin films caused by Li doping: estimation from X‐ray Debye–Waller factors
Author(s) -
Yang Anli,
Sakata Osami,
Yamauchi Ryosuke,
Kumara L. S. R.,
Song Chulho,
Katsuya Yoshio,
Matsuda Akifumi,
Yoshimoto Mamoru
Publication year - 2015
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576715020002
Subject(s) - debye–waller factor , thin film , materials science , sapphire , non blocking i/o , doping , debye model , debye , condensed matter physics , cubic crystal system , diffraction , crystallography , optics , analytical chemistry (journal) , chemistry , physics , nanotechnology , laser , biochemistry , catalysis , chromatography
Cubic type room‐temperature (RT) epitaxial Li 0.5 Ni 0.5 O and NiO thin films with [111] orientation grown on ultra‐smooth sapphire (0001) substrates were examined using synchrotron‐based thin‐film X‐ray diffraction. The 11 and 22 rocking curves including six respective equivalent reflections of the Li 0.5 Ni 0.5 O and NiO thin films were recorded. The RT B 1 factor, which appears in the Debye–Waller factor, of a cubic Li 0.5 Ni 0.5 O thin film was estimated to be 1.8 (4) Å 2 from its 11 and 22 reflections, even though the Debye model was originally derived on the basis of one cubic element. The corresponding Debye temperature is 281 (39) K. Furthermore, the B 2 factor in the pseudo‐Debye–Waller factor is proposed. This parameter, which is evaluated using one reflection, was also determined for the Li 0.5 Ni 0.5 O thin film by treating Li 0.5 Ni 0.5 O and NiO as ideal NaCl crystal structures. A structural parameter for the atomic disorder is introduced and evaluated. This parameter includes the combined effects of thermal vibration, interstitial atoms and defects caused by Li doping using the two Debye–Waller factors.