Open AccessUnderstanding nanoscale structural distortions in Pb(Zr 0.2 Ti 0.8 )O 3 by utilizing X‐ray nanodiffraction and clustering algorithm analysis
Author(s) -
Christiansen-Salameh Joyce,
Yang Morris,
Rippy Geoffrey,
Li Jianheng,
Cai Zhonghou,
Holt Martin,
Agnus Guillaume,
Maroutian Thomas,
Lecoeur Philippe,
Matzen Sylvia,
Kukreja Roopali
Publication year - 2021
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s1600577520013661
Subject(s) - materials science , mosaicity , diffraction , cluster analysis , ferroelectricity , nanoscopic scale , x ray crystallography , optics , crystallography , physics , dielectric , nanotechnology , computer science , optoelectronics , artificial intelligence , chemistry
Hard X‐ray nanodiffraction provides a unique nondestructive technique to quantify local strain and structural inhomogeneities at nanometer length scales. However, sample mosaicity and phase separation can result in a complex diffraction pattern that can make it challenging to quantify nanoscale structural distortions. In this work, a k ‐means clustering algorithm was utilized to identify local maxima of intensity by partitioning diffraction data in a three‐dimensional feature space of detector coordinates and intensity. This technique has been applied to X‐ray nanodiffraction measurements of a patterned ferroelectric PbZr 0.2 Ti 0.8 O 3 sample. The analysis reveals the presence of two phases in the sample with different lattice parameters. A highly heterogeneous distribution of lattice parameters with a variation of 0.02 Å was also observed within one ferroelectric domain. This approach provides a nanoscale survey of subtle structural distortions as well as phase separation in ferroelectric domains in a patterned sample.