DOI: 10.5061/dryad.5dv41nsjf
title: Data from: Strain-induced lead-free morphotropic phase boundary

description: This dataset contains raw and processed experimental data supporting the
 study “Strain-induced lead-free morphotropic phase boundary.” Data were
 collected from NaNbO₃ thin films of varying thicknesses using techniques
 such as reciprocal space mapping (RSM), high-resolution X-ray diffraction
 (HRXRD), atomic force microscopy (AFM), piezoresponse force microscopy
 (PFM), scanning transmission electron microscopy (STEM), X-ray
 photoelectron spectroscopy (XPS), dielectric spectroscopy, and
 ferroelectric measurements. Files are organized by sample ID, with
 filenames indicating technique, sample thickness, date, and format. Data
 formats include .csv for tabular values, .ibw for Igor Pro binary
 waveforms, .pvsm and .vti for ParaView visualization states, .xrdml for
 XRD raw data, and image formats (.png, .PNG). These files can be reused to
 replicate the analyses presented in the associated article, enable
 independent phase and domain structure studies, and support the
 development of phase boundary engineering strategies in lead-free
 ferroelectric thin films. The dataset is released under the Creative
 Commons Zero (CC0) license and contains no personal or sensitive
 information.
description: # README for "Strain-induced lead-free morphotropic phase
 boundary" Title: Strain-induced lead-free morphotropic phase boundary
 Contact: [rghanba@ncsu.edu](mailto:rghanba@ncsu.edu) 1. **File formats and
 loading instructions** • .ibw (Igor Binary Wave) – These are binary data
 files generated by Asylum Igor Pro software. They can be opened using Igor
 Pro (v6.3 or later). The files contain AFM and PFM measurement data with
 embedded metadata. • .vti (VTK Image Data) – These are image data files in
 VTK format. They can be opened in ParaView (v5.9 or later). These files
 contain volumetric reciprocal space map reconstructions. • .xrdml (X-ray
 Diffraction Markup Language) – XRDML-based diffraction data format
 produced by Rigaku smart lab software. They can be opened using HighScore
 Plus software, or any other XRD analysis software. • .pvsm (ParaView State
 File) – Saved state files for ParaView. These files store the
 visualization pipeline, filters, and rendering settings used to process
 .vti or other data files. These files contain volumetric reciprocal space
 map reconstructions. 2. **Description:** This dataset contains raw and
 processed data supporting the paper: "Strain-induced lead-free
 morphotropic phase boundary" submitted to *Nature Communications*.
 For each data type, the associated analysis software is specified to guide
 users in opening and processing the files. For all .csv files, variable
 names, definitions, and units are provided, along with descriptions of the
 experimental measurements they represent. •
 GHz-tunability-125-nm-sample-Nov2024-CSV.csv •
 GHz-tunability-185-nm-sample-Nov2024-CSV.csv •
 GHz-tunability-25-nm-sample-Nov2024-CSV.csv •
 GHz-tunability-80-nm-sample-Nov2024-CSV.csv Tunability measurements for
 NaNbO₃ thin films with varying thickness at GHz frequencies. Electric
 field (kV/cm): applied electric field Tunability (no units): Dielectric
 tunability • High-resolution-XRD-25-nm-sample-CSV.csv •
 High-resolution-XRD-80-nm-sample-CSV.csv •
 High-resolution-XRD-125-nm-sample-CSV.csv •
 High-resolution-XRD-185-nm-sample-CSV.csv θ–2θ high-resolution X-ray
 diffraction scans for NaNbO₃ film with varying thickness Angle (degree): θ
 angle Intensity (counts): intensity of diffraction •
 PE-loops-25-nm-sample-Nov2024-CSV.csv •
 PE-loops-80-nm-sample-Nov2024-CSV.csv •
 PE-loops-125-nm-sample-Nov2024-CSV.csv •
 PE-loops-185-nm-sample-Nov2024-CSV.csv Polarization-electric field
 measurements for NaNbO₃ films with varying thickness Electric field
 (kV/cm): applied electric field Polarization (µC/cm2): measured
 polarization Frequency (Hz): frequency of the applied electric field •
 PFM-analysis-phase-ratio-extraction-Dec2024-CSV.csv Phase ratio analysis
 results from PFM measurements. Thickness (nm): thickness of the film MB
 phase ratio (%): areal percent of the MB phase in the PFM image •
 Retenstion-data-80-nm-sample-June2025-CSV.csv Retention measurements for
 80 nm NaNbO₃ film. Retention time (ms): time after poling Polarization
 (µC/cm2): measured polarization •
 thickness-dependant-Dielectric-loss-vs-DC-bias-at-GHz-frequency-Nov2024-CSV.csv Dielectric loss vs. DC bias for different thicknesses at GHz frequency with varying thickness Dielectric loss (no units): loss tangent DC-bias (V): applied DC bias • thickness-dependant-Dielectric-loss-vs-electric_field-at-kHz-frequency-Nov2024-CSV.csv • thickness-dependant-Dielectric-loss-vs-kHz-frequency-Nov2024-CSV.csv Dielectric loss vs electric field at kHz frequency with varying thickness Dielectric loss (no units): loss tangent Electric field (kV/cm): applied electric field • thickness-dependant-dielectric-permitivity-vs-kHz-frequency-Nov2024-CSV.csv Dielectric permittivity vs. frequency for various thicknesses. Dielectric permittivity (no units): Relative dielectric constant εᵣ Frequency (Hz): frequency of the applied electric field • thickness-dependant-domain-wall-density-Dec2024-CSV.csv Domain wall density measurements as a function of thickness. Domain wall density (# of domain walls/ µm): number of domain walls intersecting the reference line Thickness (nm): thickness of the film • thickness-dependant-Leakage-data-Dec2024-CSV.csv Leakage current data for different thicknesses. Leakage (A/ cm2): measured leakage currents Voltage (V): applied voltage Thickness (nm): thickness of the film • thickness-dependant-Tunability-at-KHz-frequency-low-fields-Nov2024-CSV.csv • thickness-dependant-Tunability-at-GHz-frequency-Nov2024-CSV.csv Tunability measurements for NaNbO₃ thin films with varying thickness at GHz frequencies. Electric field (kV/cm): applied electric field Tunability (no units): Dielectric tunability • thickness-dependant-Tunability-at-KHz-frequency-high-fields-Nov2024-CSV.csv Tunability measurements for NaNbO₃ thin films with varying thickness at kHz frequencies. Electric field (kV/cm): applied electric field (below the coercive field) Tunability (no units): Dielectric tunability • XPS-surveys-125-nm-sample-Dec2024-CSV.csv X-ray photoelectron spectroscopy survey spectrum for a 125 nm sample. Binding energy (eV): Electron binding energy Intensity (counts): Signal intensity • PUND_as_a_function_of_pulse_width.csv PUND switching polarization as a function of pulse width. Here, the remnant polarization is calculated by subtracting the non-switched polarization from the switched polarization Voltage (V): applied voltage Polarization (µC/cm2): calculated remanent polarization • PUND-as-a-function-of-thickness-Dec2024-CSV.csv PUND switching polarization as a function of thickness at a constant pulse width. Voltage (V): applied voltage Polarization (µC/cm2): calculated remanent polarization Thickness (nm): thickness of the film • PE-loops-as_a_function-of-thickness-Dec2024-CSV.csv Polarization-electric field measurements for NaNbO₃ films with varying thickness Electric field (kV/cm): applied electric field Polarization (µC/cm2): measured polarization Thickness (nm): thickness of the film • Fatigue-data-80-nm-sample-June2025-CSV.csv Fatigue cycling measurements for 80 nm NaNbO₃ film. Cycles (counts): number of applied switching cycles Polarization (µC/cm2): measured polarization • 3D-RSM-002-diffraction-condition-80-nm-sample-Dec2024-PVSM.pvsm • 3D-RSM-103-diffraction-condition-80-nm-sample-Dec2024-VTI.vti • 3D-RSM-103-diffraction-condition-80-nm-sample-MB-phase-Dec2024-PVSM.pvsm • 3D-RSM-103-diffraction-condition-80-nm-sample-MC-phase-Dec2024-PVSM.pvsm Reciprocal space mapping files in pvsm and vti format that can be opened and processed using ParaView software. • 3D-RSM-002-diffraction-condition-80-nm-sample-Dec2024-PVSM.pvsm • 3D-RSM-103-diffraction-condition-80-nm-sample-Dec2024-VTI.vti • 3D-RSM-103-diffraction-condition-80-nm-sample-MB-phase-Dec2024-PVSM.pvsm • 3D-RSM-103-diffraction-condition-80-nm-sample-MC-phase-Dec2024-PVSM.pvsm Reciprocal space mapping files in pvsm and vti format that can be opened and processed using ParaView software. • AFM-125-nm-sample-nov2024-IBW.ibw • AFM-185-nm-sample-nov2024-IBW.ibw • AFM-25-nm-sample-nov2024-IBW.ibw • AFM-80-nm-sample-nov2024-IBW.ibw • vertical-PFM-125-nm-sample-IBW.ibw • Vertical-PFM-185-nm-sample-Dec2024-IBW.ibw • Vertical-PFM-25-nm-sample-Dec2024-IBW.ibw • Vertical-PFM-80-nm-sample-Dec2024-IBW.ibw • Lateral-PFM-125-nm-sample-IBW.ibw • Lateral-PFM-185-nm-sample-Dec2024-IBW.ibw • Lateral-PFM-25-nm-sample-Dec2024-IBW.ibw • Lateral-PFM-80-nm-sample-Dec2024-IBW.ibw • PFM-local-switching-80-nm-sample-neg6-Oct2024-IBW.ibw • PFM-local-switching-80-nm-sample-pos2-Oct2024-IBW.ibw • PFM-local-switching-80-nm-sample-pos6-Oct2024-IBW.ibw AFM and PFM files in ibw format that can be opened using Asylum Igor analysis software or any other AFM related software • High-resolution-XRD-125-nm-sample-XRDML.XRDML • High-resolution-XRD-185-nm-sample-XRDML.XRDML • High-resolution-XRD-25-nm-sample-XRDML.XRDML • High-resolution-XRD-80-nm-sample-XRDML.XRDML • RSM-LS-125-nm-sample-103-Oct2024-XRDMLRSM-LS-80-nm-sample-103-Oct2024-XRDML.xrdml • RSM-LS-185-nm-sample-002-Oct2024-XRDML.xrdml • RSM-LS-185-nm-sample-103-Oct2024-XRDML.xrdml • RSM-LS-25-nm-sample-002-Oct2024-XRDML.xrdml • RSM-LS-25-nm-sample-103-Oct2024-XRDML.xrdml • RSM-LS-80-nm-sample-002-Oct2024-XRDML.xrdml • RSM-LS-80-nm-sample-103-Oct2024-XRDML.xrdml High resolution XRD and RSM files in XRDML format that can be opened and analyzed using Rigaku smart lab software or any other XRD analysis software. • SDXM-80-nm-sample-Dec2024-png.png • STEM-anti-phase-Nov2024-png.png • STEM-anti-phase-zoomed-Nov2024-png.png • STEM-cross-section-zoomed-image-Nov2024-png.png • STEM-cross-sectional-image-Nov2024-png.PNG PNG Image files (STEM/SDXM micrographs) which can be opened in any image viewer. **License:** This dataset is shared under the Creative Commons Zero (CC0) license (public domain).