Rhenium monoselenide: an investigation by density functional theory
Rhenium monoselenide: an investigation by density functional theory: supporting data for publication
Cite this dataset as:
Wolverson, D.,
2016.
Rhenium monoselenide: an investigation by density functional theory.
Bath: University of Bath Research Data Archive.
Available from: https://doi.org/10.15125/BATH-00147.
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Data
Fig_1_raw_data.zip
application/zip (3kB)
Fig_1_NaCl_PWSCF_inputs.zip
application/zip (3kB)
Fig_1_NiAs_PWSCF_inputs.zip
application/zip (14kB)
Fig_1_ZB_PWSCF_inputs.zip
application/zip (8kB)
Fig_2_raw_data.zip
application/zip (5kB)
Fig_2_PWSCF_inputs.zip
application/zip (14kB)
Fig_3_raw_data.zip
application/zip (297kB)
Fig_3_PWSCF_inputs.zip
application/zip (14kB)
Fig_3_additional_U_values.zip
application/zip (23kB)
Fig_4_raw_data.zip
application/zip (7kB)
Fig_4_PWSCF_inputs.zip
application/zip (1kB)
Creators
Daniel Wolverson
University of Bath
Contributors
University of Bath
Rights Holder
Documentation
Data collection method:
See R. M. Martin, "Electronic Structure: Basic Theory and Practical Methods", Cambridge UP, for a tutorial introduction to the computational methodology, plus citations in the associated article to the publications of the authors of the Quantum Espresso code.
Methodology link:
Quantum ESPRESSO Foundation, and MaX Centre of Excellence, n.d. Quantum ESPRESSO. Available from: https://www.quantum-espresso.org/.
Documentation Files
Fig_1_Readme.txt
text/plain (588B)
Fig_2_Readme.txt
text/plain (472B)
Fig_3_Readme.txt
text/plain (720B)
Fig_4_Readme.txt
text/plain (483B)
Funders
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: 15 January 2016
by: University of Bath
Version: 1
DOI: https://doi.org/10.15125/BATH-00147
URL for this record: https://researchdata.bath.ac.uk/id/eprint/147
Related papers and books
Wolverson, D., 2016. Rhenium monoselenide: An investigation by density functional theory. physica status solidi (b), 253(8), 1461-1464. Available from: https://doi.org/10.1002/pssb.201600030.
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
