Elastic properties of Heusler alloys by ab initio theory and lattice dynamics of graphene
Independent thesis Basic level (degree of Bachelor), 10 credits / 15 HE creditsStudent thesis
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.
TVE, 14 040 juni
Atom and Molecular Physics and Optics
IdentifiersURN: urn:nbn:se:uu:diva-226508OAI: oai:DiVA.org:uu-226508DiVA: diva2:726124
Master Programme in Engineering Physics
Sanyal, Biplab, Dr