| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Hasnip, Philip James
University of York
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (7/7 displayed)
- 2019Simultaneous Prediction of the Magnetic and Crystal Structure of Materials Using a Genetic Algorithmcitations
- 2019Effective modelling of the Seebeck coefficient of Fe2VAlcitations
- 2018Correlation between spin transport signal and Heusler/semiconductor interface quality in lateral spin-valve devicescitations
- 2016Realisation of magnetically and atomically abrupt half-metal/semiconductor interface: Co2FeSi0.5Al0.5/Ge(111)citations
- 2016The role of chemical structure on the magnetic and electronic properties of Co2FeAl0.5Si0.5/Si(111) interfacecitations
- 2016Experimental and density functional study of Mn doped Bi2Te3 topological insulatorcitations
- 2016Experimental and density functional study of Mn doped Bi2Te3 topological insulatorcitations
Places of action
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article
Simultaneous Prediction of the Magnetic and Crystal Structure of Materials Using a Genetic Algorithm
Abstract
We introduce a number of extensions and enhancements to a genetic algorithm for crystal structure prediction, to make it suitable to study magnetic systems. The coupling between magnetic properties and crystal structure means that it is essential to take a holistic approach, and we present for the first time, a genetic algorithm that performs a simultaneous global optimisation of both magnetic structure and crystal structure. We first illustrate the power of this approach on a novel test system—the magnetic Lennard–Jones potential—which we define. Then we study the complex interface structures found at the junction of a Heusler alloy and a semiconductor substrate as found in a proposed spintronic device and show the impact of the magnetic interface structure on the device performance.