Global ETD Search
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Showing 1 to 6 of 6 for “"dynamical mean field theory (dmft)"”.
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Strongly Correlated Electrons on a Triangular Lattice
… energy effective theories by using perturbation theory. In chapter 3, we point out potential problems with perturbative techniques used to construct low energy theories for SCES. In chapter 4, we introduce an important class of materials, namely the cobaltates NaxCoO2 and we discuss the …
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Anistropic phenomena in strongly correlated electron systems
… lattice Hubbard model within two-site cluster dynamical mean field theory (DMFT), at zero temperature. The "two-site" approach provides a drastically simplified but physically motivated self-consistency scheme for DMFT. This is combined for the first time with cluster DMFT, within which …
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The Study of Transition Metal Oxides using Dynamical Mean Field Theory
… physical phases not observed in bulk systems. Dynamical mean-field theory (DMFT) emerges as a successful numerical method to treat the strong correlation. The combination of density functional and dynamical mean-field theory (DFT+DMFT) is a prospective ab initio approach for studying realistic …
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Electronic correlations in Lix̳ CoO₂
… properties of LixCoO2 using density functional theory (DFT) and the dynamical mean-field theory (DMFT). Three main problems are addressed. First, the influence of hybridization among the eg and oxygen orbitals is studied using DFT and a modified Hubbard model which is solved within DMFT. It has …
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Accounting for Strong Electronic Correlation in Metalloproteins
… example of where semi-local density functional theory (DFT) --- a go-to method for computational physicists --- fails. The second challenge is that of size: as this thesis will demonstrate, we must consider large cluster models that are thousands of atoms in size, which takes us beyond the reach …
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Density-Functional Theory+Dynamical Mean-Field Theory Study of the Magnetic Properties of Transition-Metal Nanostructures
In this thesis, Density Functional Theory (DFT) and Dynamical Mean-Field Theory (DMFT) approaches are applied to study the magnetic properties of transition metal nanosystems of different sizes and compositions. In particular, in order to take into account dynamical electron correlation effects …