Fermiology and spin densities from high energy X-ray scattering
Lead Research Organisation:
University of Bristol
Department Name: Physics
Abstract
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Organisations
Publications
Billington D
(2014)
Electron-Phonon Coupling and Superconducting Critical Temperature of the YIr 2 Si 2 and LaIr 2 Si 2 High-Temperature Polymorphs from First-Principles
in Journal of the Physical Society of Japan
Billington D
(2015)
Magnetic frustration, short-range correlations and the role of the paramagnetic Fermi surface of PdCrO2.
in Scientific reports
Billington D
(2015)
Electron-phonon superconductivity in BaSn 5
in Philosophical Magazine
Butchers M
(2015)
Determination of spin and orbital magnetization in the ferromagnetic superconductor UCoGe
in Physical Review B
Dugdale S
(2014)
Probing the Fermi surface by positron annihilation and Compton scattering
in Low Temperature Physics
Ernsting D
(2014)
Calculating electron momentum densities and Compton profiles using the linear tetrahedron method.
in Journal of physics. Condensed matter : an Institute of Physics journal
Ernsting D
(2017)
Vacancies, disorder-induced smearing of the electronic structure, and its implications for the superconductivity of anti-perovskite MgC0.93Ni2.85
in Scientific Reports
Haynes T
(2012)
Positron annihilation study of the Fermi surface of Ni 2 MnGa
in New Journal of Physics
Weber JA
(2015)
Spin-Resolved Fermi Surface of the Localized Ferromagnetic Heusler Compound Cu2MnAl Measured with Spin-Polarized Positron Annihilation.
in Physical review letters
| Description | We have made some discoveries about the role played by electronic structure in some fundamental material properties. We have contributed to some computer software that will help in interpreting future experiments. This software is freely available. |
| Exploitation Route | The research at this stage is of quite a fundamental nature. Our results relate mainly to a better understanding of exotic properties exhibited by materials. However, there is increasing use of the X-ray scattering techniques that we have ourselves used in understanding the behaviour of technologically relevant materials (e.g. batteries). The code we developed and published could be of use here. |
| Sectors | Electronics,Energy |
| Description | Developing new technological materials can be significantly aided by having a fundamental understanding of the underlying electronic structure i.e. knowing how the electrons behave. Our research has stimulated further research in a range of areas of electronic structure and the physics of metals and alloys, including some that are quite applied in nature. |
| Sector | Aerospace, Defence and Marine,Education,Energy |
| Impact Types | Policy & public services |
| Title | Compton profile calculations within ELK |
| Description | Elk is an open-source code for calculating electronic structure. Our contribution, to this much larger project, was a set of routines for calculating momentum distributions and Compton profiles. |
| Type Of Technology | Software |
| Year Produced | 2014 |
| Open Source License? | Yes |
| Impact | We are currently able to calculate momentum densities. Hopefully, other researchers around the world will also be able to use our contribution to help interpret their experimental data. |
| URL | http://elk.sourceforge.net |