Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ ZENODOarrow_drop_down
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2025
License: CC BY
Data sources: ZENODO
ZENODO
Dataset . 2025
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2025
License: CC BY
Data sources: Datacite
versions View all 2 versions
addClaim

Switching of chiral phonons in ferroelectric BaTiO3 – supplementary data

Authors: Grimes, Michael; Allington, Clifford; Ueda, Hiroki; Romao, Carl; Kummer, Kurt; Kaur, Puneet; Yao-Wen, Chang; +3 Authors

Switching of chiral phonons in ferroelectric BaTiO3 – supplementary data

Abstract

These are the supplementary computational data to the linked preprint. Input and output files of density functional theory (DFT) calculations of phonon energies and eigenvectors of BaTiO3 are located in the folder "DFT_Data". This folder contains files with the following extensions: .abi - Input files for the Abinit DFT software package. .xml - PAW atomic datasets, used as additional input for DFT calculations. .nc - NetCDF files containing the phonon eigenvectors, energies, and Born effective charges. .m - MATLAB scripts for plotting the phonon chirality. .ddb.out - Abinit derivative database file containing the results of the DFT calculations. .json - JSON file containing phonon energies and eigenvectors. .abi, .xml, .m, .ddb.out, and .json files can be viewed in a standard text editor. Data within the .nc files can be extracted using NetCDF (v. 4, www.unidata.ucar.edu/software/netcdf). The .nc files are labeled as "disperson," containing data for a high symmetry path through reciprocal space; and "surface_hk0_fine" and "surface_hk0", containing a grid of points in the hk0 plane (in hexagonal coordinates) with fine and coarse resolution, respectively. The DFT calculations can be replicated using the linbo.abi and .xml files and the Abinit software package (v. 10, www.abinit.org). Post-processing of the derivative database was performed using the anaddb utility of Abinit and the post.*.abi files. The chirality of the phonons can be plotted using the included MATLAB scripts (v. 2025b, www.mathworks.com/products/matlab.html) over the high-symmetry points or on the hk0 surface. The phonon modes can be visualized by uploading the .json file to phononwebsite (henriquemiranda.github.io/phononwebsite/phonon.html).

  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    0
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Average
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average