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Elastic properties of Heusler alloys by ab initio theory and lattice dynamics of graphene
2014 (English)Independent thesis Basic level (degree of Bachelor), 10 credits / 15 HE creditsStudent thesis
Abstract [en]

This study investigates elastic properties and lattice dynamics of promising compounds such as Heusler alloys and 2D graphene using Density Functional Theory (DFT). Simulations have been done in the software Quantum Espresso (Q.E) to produce a good model for the different solids. The lattice dynamics and elastic properties have been compared to experimental data where possible. In conclusion, the systems are stable and provide good candidates for future applications.

Place, publisher, year, edition, pages
2014. , 25 p.
Series
TVE, 14 040 juni
National Category
Atom and Molecular Physics and Optics
Identifiers
URN: urn:nbn:se:uu:diva-226508OAI: oai:DiVA.org:uu-226508DiVA: diva2:726124
Educational program
Master Programme in Engineering Physics
Supervisors
Examiners
Available from: 2014-06-25 Created: 2014-06-17 Last updated: 2014-06-25Bibliographically approved

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Elastic properties of Heusler alloys by ab initio theory and lattice dynamics of graphene(894 kB)761 downloads
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Atom and Molecular Physics and Optics

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