Sulfur and oxygen impurities in ReSe2: symmetry breaking and local vibrational modes

373 34 7539 2 19395 document 7539 Origin_files.zip application/zip 47c38e3476a27b73356c0098bb718f4a MD5 691042 2017-11-10 12:27:22 https://researchdata.bath.ac.uk/373/1/Origin_files.zip 373 1 1 application/zip other en public cc_by

Origin_files.zip

data 7540 2 19397 document 7540 PWSCF_scripts.zip application/zip 30c491bf623173a60dfb88f0d5e0bae7 MD5 14473 2017-11-10 12:27:27 https://researchdata.bath.ac.uk/373/2/PWSCF_scripts.zip 373 2 2 application/zip other en public cc_mit

PWSCF_scripts.zip

code archive 472 disk0/00/00/03/73 2017-11-28 10:13:26 2024-07-18 12:31:39 2017-11-28 10:13:26 data_collection show Wolverson Daniel D.Wolverson@bath.ac.uk 0000-0002-5578-6018 University of Bath TRUE Hart Lewis L.S.Hart@bath.ac.uk University of Bath FALSE Webb James jlw76@bath.ac.uk University of Bath FALSE Sulfur and oxygen impurities in ReSe2: symmetry breaking and local vibrational modes dept_physics 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. 2017 University of Bath public RightsHolder University of Bath Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/P004830/1 Nano-ARPES Studies of Novel Transition Metal Dichalcogenides Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/M022188/1 Tailoring Magnetic Properties of Mn-Cr Chalcogenide Alloys and Heterostructures Raman spectroscopy as described in the Methods section of the associated publication: https://researchportal.bath.ac.uk/en/publications/6ae96ef2-7f3f-4712-8cec-a622f6fcff11 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. https://researchportal.bath.ac.uk/en/publications/6ae96ef2-7f3f-4712-8cec-a622f6fcff11 2017-05-30 en 1 10.15125/BATH-00373 https://doi.org/10.1038/s41699-017-0043-1 pub open