PhD Studentship - Understanding Environmental Effects on Materials for Quantum Technology from First Principles

Department: Materials
Title: Understanding environmental effects on materials for quantum technology from first principles
Application deadline: 16/06/2025

How to apply: https://uom.link/pgr-apply-2425

How many positions: 1

Residency: UK students

This 3.5 year PhD studentship will be funded by the Department of Materials at the University of Manchester, at the standard UKRI rate. Only UK 'home' students are eligible for this funding. After the initial round of interviews, one nominated applicant will be put forward for a second departmental panel interview, alongside applicants to other projects, to decide which students will receive the funding. The successful candidate will receive a tax free stipend set at the UKRI rate (£20,780 for 2025/26) and tuition fees will be paid. We expect the stipend to increase each year.

The success of the next generation of quantum technology will fundamentally depend on the materials used to it. One of the leading classes of materials for these applications is colour centres in crystalline semiconductors (such as the nitrogen-vacancy centre in diamond), thanks to their stability, long spin coherence lifetimes, and ability to operate near room temperature. Despite significant recent advances, there are still challenges to overcome for these systems, including environmental interactions during and after fabrication. There is therefore still intense research interest in characterising existing colour centres and their interactions with the environment, as well as identifying new candidates.

First principles modelling is a vital tool in this endeavour, allowing us to establish which defects are energetically favourable, how mobile they are, their excited state properties, and the influence of environmental effects on these properties. Combining this data together allows us to identify candidate systems, and to computationally characterise novel defects, using theory to guide experiment and industry.

In this PhD project, we will make use of cutting-edge computational methods, including linear-scaling density functional theory (LS-DFT), quantum embedding, and machine learning potentials, to systematically characterise unidentified colour centres, and explore this vast configurational space for novel defects. The initial focus will be on complexes formed around Group IV/V ions implanted into diamond, but will expand to explore other hosts and implanted ions. The project will provide insight into the fundamental physics of these systems, and their robustness against external perturbations. An important aspect will be comparing against experiment by collaborating with world-leading experimental groups, including the Curry group (Manchester) and the Smith & Stern groups (Oxford).

This project will suit a student with an interest in computational modelling and/or materials for quantum technology. An interest in materials modelling software development would be beneficial, but not necessary.

Applicants should have, or expect to achieve, at least a 2.1 honours degree or a master’s (or international equivalent) in a relevant science or engineering related discipline.

Only 'home' students are eligible for this funded opportunity.

To apply, please contact the supervisor; Dr Joseph Prentice - joseph.prentice@manchester.ac.uk. Please include details of your current level of study, academic background and any relevant experience and include a paragraph about your motivation to study this PhD project.

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