New Emergent Quantum States of Matter at High Pressure
Lead Research Organisation:
King's College London
Department Name: Physics
Abstract
Abstracts are not currently available in GtR for all funded research. This is normally because the abstract was not required at the time of proposal submission, but may be because it included sensitive information such as personal details.
Organisations
Publications
Acharya S
(2018)
Metal-Insulator Transition in Copper Oxides Induced by Apex Displacements
in Physical Review X
Acharya S
(2021)
Electronic Structure Correspondence of Singlet-Triplet Scale Separation in Strained Sr2RuO4
in Applied Sciences
Banerjee D
(2022)
Pressure-induced electronic transitions in samarium monochalcogenides
in Physical Review B
Fertitta E
(2021)
Study of disorder in pulsed laser deposited double perovskite oxides by first-principle structure prediction
in npj Computational Materials
Finnegan S
(2022)
High-pressure structure of praseodymium revisited: In search of a uniform structural phase sequence for the lanthanide elements
in Physical Review B
Finnegan S
(2020)
High-pressure structural systematics in samarium up to 222 GPa
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
Lee H
(2022)
Many-Body Study of Iron(III)-Bound Human Serum Transferrin.
in The journal of physical chemistry letters
Lee H
(2021)
Ultrafast Electron Dynamics in Magnetic Thin Films
in Applied Sciences
Lee H
(2019)
The Mott to Kondo transition in diluted Kondo superlattices
in Communications Physics
| 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 | 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 |
| 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/19161926/1 |
| 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 |
| 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/16720306/1 |