PhD project: Superhydrides under pressure from combined experiments and calculations
Project description
Extreme conditions of pressure and temperature can be used as a route to produce materials with unique properties that are otherwise unattainable. In this sense, pressure can be considered as green chemistry. One of the current challenges in the field of high pressure is the use of pressure and temperature to produce high-temperature superconducting hydrides that are quenchable to room temperature and pressures and stay superconductors.
This is a combined experimental and theoretical project. You will work under the supervision of Dr Miriam Peña-Alvarez and Prof. Andreas Hermann. The aim is to explore and understand what triggers high temperature superconductivity and what reduces the pressure required to achieve such a state. We will use a binary hydride to which we will add elements from different representative groups of the periodic table to explore different combinations of ternary superconducting hydrides.
Experiments will be done using diamond anvil cells coupled with laser heating, optical spectroscopy (CSEC), electrical measurements (CSEC) and X-ray diffraction (ESRF, France; Diamond, UK) to synthesise and characterise these novel materials.
Calculations will use density functional theory to explore compounds’ energetic and dynamical stability, mechanical and electronic properties, and to predict superconducting transition temperatures. Configurational landscapes will be explored using crystal structure prediction algorithms and molecular dynamics simulations; for both, development and use of machine learned interatomic potentials are a potential avenue to upscale simulations. Calculations will use high-performance computing resources provided by the UK’s national supercomputer, ARCHER2.
Project supervisors
- Dr Miriam Pena Alvarez (School of Physics & Astronomy, University of Edinburgh)
- Professor Andreas Hermann (School of Physics & Astronomy, University of Edinburgh)
The project supervisors welcome informal enquiries about this project.
Find out more about this research area
The links below summarise our research in the area(s) relevant to this project:
- Find out more about Extreme Conditions.
- Find out more about the Institute for Condensed Matter and Complex Systems.
What next?
- Find out how to apply for our PhD degrees.
- Find out about fees and funding and studentship opportunities.
- View and complete the application form (on the main University website).
- Find out how to contact us for more information.