Lattice dynamics of the rhenium and technetium dichalcogenides

Lattice dynamics of the rhenium and technetium dichalcogenides

The rhenium and technetium dichalcogenides are layered van der Waals semiconductors which show a large number of Raman-active zone centre phonon modes as a result of their unusually large unit cells and deviation from hexagonal symmetry. They thus offer the possibility of introducing in-plane anisotropy into composite heterostructures based on van der Waals materials, and Raman spectroscopy is generally used to determine their in-plane orientation. We show that first principles calculations give a good description of the lattice dynamics of this family of materials and thus predict the zone-center phonon frequencies and Raman activities of TcS2. We consider the distribution of the phonon modes in frequency and their atomic displacements, and give a unified understanding of the phonon frequencies and Raman spectra of ReS2, TcS2 and ReSe2 in terms of the scaling of Raman frequency with the chalcogen mass.

Keywords:
Nanoscale materials

Cite this dataset as:
Wolverson, D., Hart, L., 2016. Lattice dynamics of the rhenium and technetium dichalcogenides. University of Bath. https://doi.org/10.15125/BATH-00130.

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Data

data_figure_1a.txt
text/plain (17kB)

data_figure_1b.txt
text/plain (17kB)

ReS2_inputs.zip
application/zip (1kB)

ReSe2_inputs.zip
application/zip (1kB)

TcS2_inputs.zip
application/zip (1kB)

Creators

Daniel Wolverson
University of Bath

Documentation

Data collection method:

Raman microscopy and first principles calculations Files containing the measured data and the input parameters to the calculations are given here. The associated publication gives further details of the methodology.

Documentation Files

readme_figure_4.txt
text/plain (115B)

Funders

Engineering and Physical Sciences Research Council (EPSRC)
https://doi.org/10.13039/501100000266

Fundamental Research and Applications in Nano-Electronics, Photonics, Engineering and Bio-Sciences
EP/G036101/1

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

Engineering and Physical Sciences Research Council (EPSRC)
https://doi.org/10.13039/501100000266

Centre for Doctoral Training in Condensed Matter Physics
EP/L015544/1

Publication details

Publication date: May 2016
by: University of Bath

Version: 1

DOI: https://doi.org/10.15125/BATH-00130

URL for this record: https://researchdata.bath.ac.uk/id/eprint/130

Related articles

Wolverson, D. and Hart, L. S., 2016. Lattice Dynamics of the Rhenium and Technetium Dichalcogenides. Nanoscale Research Letters, 11(1). Available from: https://doi.org/10.1186/s11671-016-1459-9.

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