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PhD position in Computational Materials Science (No replies)

gibo
6 years ago
gibo 6 years ago

Applications are invited to join the Stephenson Institute for Renewable Energy, University of Liverpool (UK) for a fully-funded 3.5-year PhD position in theory and computational screening of novel sustainable ferromagnets.

As recently observed [1-5], interfacial electronic hybridisation between a metal substrate and an organic material can be used to promote magnetism and ferromagnetic ordering between originally non-magnetic components, or enhance the magnetic descriptors of originally ferromagnetic substrates. The phenomenon is appealing because control and enhancement of magnetism in cheap and non-toxic materials such as light transition metals and organic semiconductors could provide more eco-friendly and sustainable alternatives to established and developmental technologies underpinned by magnetic properties e.g. spintronics, opto-spintronics, (portable) information storage, magnetic imaging and sensing, turbine power generation, etc.

By interplay between Density Functional Theory, micro-kinetics modelling, and parallel experimental investigations at the Department of Physics, University of Leeds (UK), the studentship aims to understand at the atomistic levels the fundamentals of the phenomenon towards its optimisation and maximisation, sustaining rational development of a new class of eco-friendly light ferromagnets.

The successful applicant will join an international team with members in Liverpool (UK) and at the Beijing Computational Science Research Center (China), with possibilities of secondment in China. The theoretical research will benefit from parallel experimental investigations and close collaboration with the Department of Physics of the University of Leeds (Céspedes group).

Imaginative and highly motivated candidates are encouraged to apply.  A degree (1st or 2.1st) in materials science, physics, chemistry or related subjects is required. Previous experience with application of Density Functional Theory, programming, or micro-kinetics models would be an advantage but is not essential.

The position is available from 1st October 2018 (some flexibility is possible). The studentship will cover full tuition fees and a maintenance grant for 3.5 years (currently £14,553 p.a.).

Eligibility. This is an EPSRC-funded position and as a result the position is primarily available to students resident in the UK. However, EPSRC also offers open eligibility to enable support of the very best students. Thus, students with any passport from the EU area and an internationally competitive CV are not excluded from applying. They could be eligible on a competitive basis.

Non-EU nationals are not eligible for this position and applications from non-EU candidates cannot be considered (unless you have your own funding).

For further information on eligibility requirements, please refer to the EPSRC website: http://www.epsrc.ac.uk/skills/students/help/eligibility/

For informal enquiries about this position please contact Dr Gilberto Teobaldi ([email protected]).

To apply, please send a cover letter, a full CV (with degree exam marks), and contact details of at least two selected referees to Dr Gilberto Teobaldi ([email protected]). Please submit your application as soon as possible. Applicants will be considered until the position is filled.

References.

[1] M. Callsen et al., Magnetic hardening induced by nonmagnetic organic molecules, Phys. Rev. Lett. 111, 106805 (2013).

[2] F. Al Ma’Mari et al., Beating the Stoner criterion using molecular interfaces, Nature 524, 69 (2015).

[3] K. V. Raman and J. S. Moodera, Materials chemistry: A magnetic facelift for non-magnetic metals, Nature 524, 42 (2015).

[4] F. Al Ma’Mari et al., Emergent magnetism at transition-metal-nanocarbon interfaces, Proc. Natl. Acad. Sci. U.S.A. 114, 5583 (2017).

[5] L. Martin-Olivera et al., Role of Metal Lattice Expansion and Molecular π-Conjugation for the Magnetic Hardening at Cu-Organics Interfaces, J. Phys. Chem. C 121, 23777 (2017).




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Ab initio (from electronic structure) calculation of complex processes in materials