New Emergent Quantum States of Matter at High Pressure
Lead Research Organisation:
King's College London
Department Name: Physics
Abstract
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Organisations
Publications
Banerjee D
(2022)
Pressure-induced electronic transitions in samarium monochalcogenides
in Physical Review B
Jamet F
(2022)
Disentangling the role of bond lengths and orbital symmetries in controlling T c of optimally doped YBa 2 Cu 3 O 7
in Physical Review Research
McHardy J
(2023)
On the creation of thermal equations of state for use in Dioptas
in High Pressure Research
Description | We have now developed the method outined in the proposal to calculate forces within DFT+DMFT, and are able to relax structures under high pressure where correlations effects are large. |
Exploitation Route | The formalism has been implemented in the UK CASTEP software. We will apply for further funding to finalize the integration such that the UK community can exploit this new advance (quite unique in the world and provides an edge to the UK). |
Sectors | Electronics,Energy |
Title | Example input and output files for transferrin calculations |
Description | Example input and output files for transferrin calculations |
Type Of Material | Database/Collection of data |
Year Produced | 2022 |
Provided To Others? | Yes |
URL | https://figshare.com/articles/dataset/Example_input_and_output_files_for_transferrin_calculations/19... |
Title | Input files and results |
Description | This is the dataset of the manuscript: "Many body study of iron(III) bound human serum transferrin" |
Type Of Material | Database/Collection of data |
Year Produced | 2022 |
Provided To Others? | Yes |
URL | https://figshare.com/articles/dataset/Input_files_and_results/19161926 |
Description | CdSe_Zhang2017.py is a python file that reproduces the results obtained by Zhang et al in:https://doi.org/10.1007/s12274-017-1814-xray_trace.py is a simple example of a ray tracing calculation using the pvtrace module availble at:https://github.com/danieljfarrell/pvtrace |
Type Of Technology | Software |
Year Produced | 2021 |
Open Source License? | Yes |
URL | https://figshare.com/articles/software/Tar_file_of_code_and_examples/16720306 |