Title:
Strain-induced lead-free morphotropic phase boundary

Contact:
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).