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
Acharya S
(2018)
Metal-Insulator Transition in Copper Oxides Induced by Apex Displacements
in Physical Review X
Lupo C
(2019)
Nanoscopic time crystal obtained by nonergodic spin dynamics
in Physical Review B
McMahon M
(2019)
Structure and magnetism of collapsed lanthanide elements
in Physical Review B
Lee H
(2019)
The Mott to Kondo transition in diluted Kondo superlattices
in Communications Physics
Lupo C
(2019)
Emergence of long-range magnetic order stabilized by magnetic impurities in pnictides
in Physical Review B
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 |