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
Plekhanov E
(2019)
Tuning topological surface states by cleavage angle in topological crystalline insulators
in Physical Review B
Lupo C
(2019)
Emergence of long-range magnetic order stabilized by magnetic impurities in pnictides
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)
Nanoscopic time crystal obtained by nonergodic spin dynamics
in Physical Review B
Pace E
(2020)
Structural phase transitions in yttrium up to 183 GPa
Linscott EB
(2020)
ONETEP + TOSCAM: Uniting Dynamical Mean Field Theory and Linear-Scaling Density Functional Theory.
in Journal of chemical theory and computation
Finnegan S
(2020)
High-pressure structural systematics in samarium up to 222 GPa
in Physical Review B
Weber C
(2020)
Role of the lattice in the light-induced insulator-to-metal transition in vanadium dioxide
in Physical Review Research
Pace E
(2020)
Structural phase transitions in yttrium up to 183 GPa
in Physical Review B
Sheridan E
(2021)
Data-driven dynamical mean-field theory: An error-correction approach to solve the quantum many-body problem using machine learning
in Physical Review B
Lupo C
(2021)
Maximally localized dynamical quantum embedding for solving many-body correlated systems
in Nature Computational Science
Lupo C
(2021)
From Slater to Mott physics by epitaxially engineering electronic correlations in oxide interfaces
in npj Computational Materials
Lupo C
(2021)
Publisher Correction: Maximally localized dynamical quantum embedding for solving many-body correlated systems
in Nature Computational Science
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 |