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Calculations of Phonons and Phonon Dispersion in Lifep Pnictide Superconductor

dc.contributor.authorSalawu, Omotayo Akande
dc.date.accessioned2017-01-09T15:14:13Z
dc.date.available2017-01-09T15:14:13Z
dc.date.issued2010-12-20
dc.identifier.urihttp://repository.aust.edu.ng:8080/xmlui/handle/123456789/532
dc.description.abstractNot too long ago(2008),a new pnictide Superconductor free from arsenic was discovered–LiFeP. It belongs to the family of the so called ‘111’ type iron Superconductor. It has unique characteristics in its normal state which can be useful in understanding the unusual high temperature superconductivity observed in iron pnictide compounds. In this work,we studied LiFeP from first principles. The structure was optimised,electronic structure calculations were performed yielding lattice constants that differed only 2 − 9% from experiment. Band structure was calculated and electronic density of states showing no band gap was found. Calculations on phonon modes was also done. From observing the phonon normal modes,the FeP plane was found to be largely decoupled from the Li atoms.In some modes the P is also decoupled from the Fe plane.A small band gap of about 25cm −1 (≡ 35)K was also noticed in the phonon band structure.en_US
dc.description.sponsorshipAUSTen_US
dc.language.isoenen_US
dc.subjectSalawu Omotayo Akandeen_US
dc.subjectDr Akin-Ojo Omololuen_US
dc.subject2010 Theoretical Physics Thesesen_US
dc.subjectPhononsen_US
dc.subjectSuperconductoren_US
dc.titleCalculations of Phonons and Phonon Dispersion in Lifep Pnictide Superconductoren_US
dc.typeThesisen_US


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  • Theoretical and Applied Physics42

    This collection contains selected research work by Theoretical and Applied Physics Students at the Masters level, from 2009-2019.

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