Electronic and lattice structure of the strongly correlated transition metal oxides Fe3O4 and LaSr2Mn2O7 : a hybrid density functional study
Citation:
Andrew Daniel Rowan, 'Electronic and lattice structure of the strongly correlated transition metal oxides Fe3O4 and LaSr2Mn2O7 : a hybrid density functional study', [thesis], Trinity College (Dublin, Ireland). School of Physics, 2007, pp 146Download Item:
Abstract:
This thesis is a theoretical study of the electronic and lattice structure of the inverse spinel magnetite (Fe3O4) and the half-doped bilayered manganite system LaSr2 Mn2O7 . Both systems are strongly correlated transition metal oxides exhibiting a rich variety of physical behaviours, due to the complex interactions of charge, spin, orbital and lattice degrees of freedom. A hybrid density functional approach is adopted in order to circumvent the well-known difficulties of traditional density function theory and Hartree- Fock theory in accurately describing the electronic structure of such strongly correlated transition metal oxides.
Author: Rowan, Andrew Daniel
Advisor:
Patterson, CharlesPublisher:
Trinity College (Dublin, Ireland). School of PhysicsNote:
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Physics, Ph.D., Ph.D. Trinity College DublinMetadata
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