Rhenium monoselenide: an investigation by density functional theory

Rhenium monoselenide: an investigation by density functional theory

Rhenium monoselenide: an investigation by density functional theory: supporting data for publication

Keywords:
rhenium selenide, density functional theory, magnetism, rhenium sulphide

Cite this dataset as:
Wolverson, D., 2016. Rhenium monoselenide: an investigation by density functional theory. University of Bath. https://doi.org/10.15125/BATH-00147.

Export

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

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.

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 (EPSRC)
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 articles

Wolverson, D., 2016. Rhenium monoselenide: An investigation by density functional theory. physica status solidi (b), 253(8), pp.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

Departments:

Faculty of Science
Physics