Data set for: Molecular and atomic manipulation mediated by electronic excitation of the underlying Si(111)-7x7 surface

All the data associated with this publication, please see publication for methodology and details

Data sets for the Journal of Physics: Condensed Matter article entitled “Structure of rare-earth chalcogenide glasses by neutron and x-ray diffraction.”

Data sets used to prepare Figures 1 – 10 in the Journal of Physics: Condensed Matter article entitled “Structure of rare-earth chalcogenide glasses by neutron and x-ray diffraction.” The files are labelled according to the figure numbers. The data sets were created using the methodology described in the manuscript. Each of the plots was drawn using Origin (http://www.originlab.com/). The data set corresponding to a plotted curve within an Origin file can be identified by clicking on that curve. The units for each axis are identified on the plots

Dataset for "Spin-order-dependent magneto-elastic coupling in two dimensional antiferromagnetic MnPSe3 observed through Raman spectroscopy"

Input files for the open source Quantum Espresso and Phonopy codes (and the required pseudopotentials) are provided to reproduce the calculations presented in the associated paper, with the following abstract. Layered antiferromagnetic materials have emerged as a novel subset of the two dimensional family with promising physical properties which provide a highly accessible framework in which to examine a multitude of phenomena arising from a unique combination of low dimensionality, fast spin dynamics and a robustness to external magnetic fields. Specifically, materials such as metal thiophosphates, MPX$_3$ (M = group VIIB or VIII element, X = chalcogen element), hold a lot of promise for investigating fundamental interactions between magnetic and lattice degrees of freedom, and for the exploration of developing fields such as spintronics and magnonics. Here, we use a combination of temperature dependent Raman spectroscopy and density functional theory to explore ordering-dependent interactions between the antiferromagnetic manganese spin degree of freedom and lattice vibrations via a super-exchange pathway in both bulk and few layer manganese phosphorous triselenide (MnPSe$_3$) from 5-250 K including the Ne{\'e}l transition temperature of 74 K. We observe a non-linear temperature dependent shift of all seven Raman active phonon lines, including two magnetic modes (84 cm$^{-1}$ and 109 cm$^{-1}$), a hybridised two-magnon mode (126 cm$^{-1}$) and four lesser studied vibrational modes predominantly associated with the non-magnetic sub-lattice (143 cm$^{-1}$, 156 cm$^{-1}$, 173 cm$^{-1}$, and 221 cm$^{-1}$) which possess a non-trivial spin-phonon coupling below the Ne{\'e}l temperature. Using an analytical approach consisting of combining anharmonic temperature dependent shifts with magnetic-specific Brillouin function fitting to these four phonon lines, we extract a spin-phonon coupling constant for each mode

Dataset for "Structural Evolution of Iron Forming Iron Oxide in a Deep Eutectic-Solvothermal Reaction"

This dataset contains reduced data from small angle neutron and small angle X-ray scattering experiments, and wide angle scattering S(Q) data as described in the manuscript. These data can be used to model and determine the nanostructure of choline chloride:urea deep eutectic solvents containing iron species, followed during reaction with time as they react and convert into iron oxide nanoparticles. Data are presented as .csv files, and the file names are indexed to samples in the initial file (also .csv) in each folder

Supporting data for article "Strain-induced phonon shifts in tungsten disulfide nanoplatelets and nanotubes"

The relationship between structure and properties has been followed for different nanoscale forms of tungsten disulfide (2H-WS2) namely exfoliated monolayer and few-layer nanoplatelets, and nanotubes. The similarities and differences between these nanostructured materials have been examined using a combination of optical microscopy, scanning and high-resolution transmission electron microscopy (SEM and HRTEM) and atomic force microscopy (AFM). Photoluminescence (PL) and Raman spectroscopy have also been used to distinguish between monolayer and few-layer material. Strain induced phonon shifts have been followed from the changes in the positions of the A1g and E2g1 Raman bands during uniaxial deformation. This has been modelled for monolayer using density functional theory (DFT) with excellent agreement between the measured and predicted behaviour. It has been found that as the number of WS2 layers increases for few-layer crystals or nanotubes, the A1g mode hardens whereas the E2g1 mode softens. This is believed to be due to the A1g mode, which involves out of plane atomic movements, being constrained by the increasing number of WS2 layers whereas easy sliding reduces stress transfer to the individual layers for the E2g1 mode, involving only in-plane vibrations. This finding has enabled the anomalous phonon shift behaviour in earlier pressure measurements on WS2 to be resolved, as well as similar effects in other transition metal dichalcogenides, such as molybdenum disulfide (MoS2), to be explained. This dataset contains supporting data for the density functional theory calculations which were the part of this work carried out at the University of Bath.The two zipped files contain all the input files supplied to the Quantum Espresso package for the two cases of pure hydrostatic strain and pure shear strain

Dataset for "Cu/Ag Sphere Segment Void Array as Efficient Surface Enhanced Raman Spectroscopy Substrate for Detecting Individual Atmospheric Aerosol".

This dataset contains the results of simulations of electromagnetic fields near the surface of a Cu/Ag sphere segment void array obtained using Lumerical FDTD software. The results support the publication "Cu/Ag Sphere Segment Void Array as Efficient Surface Enhanced Raman Spectroscopy Substrate for Detecting Individual Atmospheric Aerosol"

Dataset for "Displacement Talbot Lithography: an alternative technique to fabricate nanostructured metamaterials"

This dataset contains scanning electron microscopy (SEM) secondary electron (SE) images of linear gratings resist, dashes and holes in resist that were obtained using Displacement Talbot lithography. These techniques were used to assess the dimensions of the resist features that were obtained with linear grating mask, using single or double exposure steps. SE images also shows the lift-off profile used in order to obtain metamaterial 'fishnet' like metallic structures. The dimensions of the measured linear gratings, dashes and holes are written in text files

Dataset for "Singlet oxygen generation by nanoporous silicon: photoluminescence dynamics in magnetic field"

The dataset contains raw measurements of low temperature magneto-photoluminescence spectra for porous silicon samples exposed to different levels of adsorbed oxygen. The data is structured in pairs of wavelength (nm) and photon counts, which were recorded for 1s or 10s acquisition time and constant temperature of 1.5

Dataset for "Chiral nanosurfaces for enhancement of local electromagnetic field"

This dataset contains the results of calculations of electric fields and optical chirality 1 nm above the surface of an array of gold nanobars with varying length. The data support the publication "Chiral nanosurfaces for enhancement of local electromagnetic field"

Data supporting: Resilience of Malic Acid Natural Deep Eutectic Solvent Nanostructure to Solidification and Hydration

This dataset contains processed neutron diffraction used for EPSR modelling, and quasi-elastic neutron scattering data in support of the named article