Sulfur and oxygen impurities in ReSe2: symmetry breaking and local vibrational modes
This dataset supports the publication "Identifying light impurities in transition metal dichalcogenides: the local vibrational modes of S and O in ReSe2 and MoSe2". It contains shell scripts for running Quantum Espresso code and the original spectroscopic data in Origin Project (.opj) file format.
Cite this dataset as:
Wolverson, D.,
Hart, L.,
Webb, J.,
2017.
Sulfur and oxygen impurities in ReSe2: symmetry breaking and local vibrational modes.
Bath: University of Bath Research Data Archive.
Available from: https://doi.org/10.15125/BATH-00373.
Export
Data
Origin_files.zip
application/zip (691kB)
Creative Commons: Attribution 4.0
Code
PWSCF_scripts.zip
application/zip (14kB)
Software: MIT License
Creators
Daniel Wolverson
University of Bath
Lewis Hart
University of Bath
James Webb
University of Bath
Contributors
University of Bath
Rights Holder
Coverage
Collection date(s):
30 May 2017
Documentation
Data collection method:
Raman spectroscopy as described in the Methods section of the associated publication: https://researchportal.bath.ac.uk/en/publications/6ae96ef2-7f3f-4712-8cec-a622f6fcff11
Technical details and requirements:
The Origin Project (.opj) files were created in Origin 2016, and may be viewed with the Origin Viewer application: https://www.originlab.com/. The shell scripts require BASH, a Message Passing Interface (MPI) implementation, and Quantum Espresso (http://www.quantum-espresso.org/); some variables within the scripts hold path names that must be adjusted according to circumstance.
Methodology link:
Hart, L., Webb, J., Murkin, S., Wolverson, D., and Lin, D.-Y., 2017. Identifying light impurities in transition metal dichalcogenides: the local vibrational modes of S and O in ReSe<sub>2</sub> and MoSe<sub>2</sub>. npj 2D Materials and Applications, 1. Available from: https://researchportal.bath.ac.uk/en/publications/identifying-light-impurities-in-transition-metal-dichalcogenides-.
Funders
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
Nano-ARPES Studies of Novel Transition Metal Dichalcogenides
EP/P004830/1
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
Tailoring Magnetic Properties of Mn-Cr Chalcogenide Alloys and Heterostructures
EP/M022188/1
Publication details
Publication date: 2017
by: University of Bath
Version: 1
DOI: https://doi.org/10.15125/BATH-00373
URL for this record: https://researchdata.bath.ac.uk/id/eprint/373
Related papers and books
Hart, L. S., Webb, J. L., Murkin, S., Wolverson, D., and Lin, D.-Y., 2017. Identifying light impurities in transition metal dichalcogenides: the local vibrational modes of S and O in ReSe2 and MoSe2. npj 2D Materials and Applications, 1(1). Available from: https://doi.org/10.1038/s41699-017-0043-1.
Contact information
Please contact the Research Data Service in the first instance for all matters concerning this item.
Contact person: Daniel Wolverson
Faculty of Science
Physics
