Research output per year
Research output per year
Description
This repository provides additional data to accompany the paper:
"Structural Dynamics and Thermal Transport in Bismuth Chalcogenide Alloys"
J. Cen, I. Pallikara and J. M. Skelton
Chemistry of Materials 33 (21), 8404 (2021), DOI: 10.1021/acs.chemmater.1c02777
This repository makes available a subset of raw data from these calculations, including:
* Optimised structures;
* Phonon calculations;
* Thermal conductivity calculations performed within the single-mode relaxation-time approximation.
For details of how this data was generated, users are referred to the published article and supporting information. Brief details of file formats and links to further documentation are given in the included README file.
"Structural Dynamics and Thermal Transport in Bismuth Chalcogenide Alloys"
J. Cen, I. Pallikara and J. M. Skelton
Chemistry of Materials 33 (21), 8404 (2021), DOI: 10.1021/acs.chemmater.1c02777
This repository makes available a subset of raw data from these calculations, including:
* Optimised structures;
* Phonon calculations;
* Thermal conductivity calculations performed within the single-mode relaxation-time approximation.
For details of how this data was generated, users are referred to the published article and supporting information. Brief details of file formats and links to further documentation are given in the included README file.
| Date made available | 1 Jun 2023 |
|---|---|
| Publisher | Mendeley Data |
Research output
- 1 Article
-
Structural Dynamics and Thermal Transport in Bismuth Chalcogenide Alloys
Cen, J., Pallikara, I. & Skelton, J., 1 Oct 2021, (Accepted/In press) In: Chemistry of Materials.Research output: Contribution to journal › Article › peer-review