Investigating the role of dispersion corrections and anharmonic effects on the phase transition in SrZrS3: A systematic analysis from AIMD free energy calculations.
- DOI
- 10.1063/5.0185319
- Published
- 2024 Jan 7
- Container
- The Journal of chemical physics
- Publisher
- Not recorded
- Open access
- unknown
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Cite this work
BibTeX
@article{allodium:10.1063/5.0185319,
title = {Investigating the role of dispersion corrections and anharmonic effects on the phase transition in SrZrS3: A systematic analysis from AIMD free energy calculations.},
author = {Jaykhedkar N and Bystrický R and Sýkora M and Bučko T},
year = {2024},
journal = {The Journal of chemical physics},
doi = {10.1063/5.0185319},
url = {https://doi.org/10.1063/5.0185319}
}RIS
TY - JOUR TI - Investigating the role of dispersion corrections and anharmonic effects on the phase transition in SrZrS3: A systematic analysis from AIMD free energy calculations. AU - Jaykhedkar N AU - Bystrický R AU - Sýkora M AU - Bučko T PY - 2024 JO - The Journal of chemical physics DO - 10.1063/5.0185319 UR - https://doi.org/10.1063/5.0185319 ER -
APA
N, J., R, B., M, S., & T, B. (2024). Investigating the role of dispersion corrections and anharmonic effects on the phase transition in SrZrS3: A systematic analysis from AIMD free energy calculations.. The Journal of chemical physics. https://doi.org/10.1063/5.0185319
Source records
- pubmed · retrieved 2026-09-25T08:25:29.581Z