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Orbital selective Mott transition in 3d and 5f materials

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TitleInfo (displayLabel = Citation Title); (type = uniform)
Title
Orbital selective Mott transition in 3d and 5f materials
Name (ID = NAME001); (type = personal)
NamePart (type = family)
Toropova
NamePart (type = given)
Antonina
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Antonina Toropova
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author
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Kotliar
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Gabriel
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Advisory Committee
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Gabriel Kotliar
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chair
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Andrei
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Natan
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Advisory Committee
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Natan Andrei
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internal member
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Chandra
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Premala
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Advisory Committee
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Premala Chandra
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internal member
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Mekjian
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Aram
Affiliation
Advisory Committee
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Aram Mekjian
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internal member
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NamePart (type = family)
Zhu
NamePart (type = given)
Jian-Xin
Affiliation
Advisory Committee
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Jian-Xin Zhu
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outside member
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Rutgers University
Role
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degree grantor
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Graduate School - New Brunswick
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theses
OriginInfo
DateCreated (qualifier = exact)
2008
DateOther (qualifier = exact); (type = degree)
2008-01
Language
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English
PhysicalDescription
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electronic
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application/pdf
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Extent
152 pages
Abstract
We study two types of strongly correlated electron systems in the example of the transition oxide CrO2 and actinide series. We found
that the physics of both types of materials can be interpreted and discussed using concept of orbital selective Mott transition (OSMT). The theory of OSMT is discussed in framework of the
multiorbital Hubbard model applied to the description of t2g orbitals of Cr atoms in chromium dioxide as well as in the framework of a more generalized model for 5f materials
containing both Hubbard-like and Anderson-like contributions.
The electronic structure, transport, and magnetic properties of selected compounds are investigated by means of Ab Initio calculations. The many body techniques such as LDA+U and
dynamical mean field theory (DMFT) have been used in addition to density functional based local density approximation (LDA) method.
The half-metallic ferromagnet CrO2 has been shown to demonstrate effectively weakly correlated behavior in ordered state due to big
exchange splitting within t2g orbitals. The detailed DMFT study with Quantum Monte Carlo (QMC) impurity solver revealed that in the paramagnetic state this compound was on the edge of a quantum transition.
In the case of the actinide series we first demonstrated the choice of basis which optimum for DMFT based calculations. By
means of detailed one-electron band structure analysis we showed that hybridization term of 5f-orbitals with conduction electrons
must be included in the actinide Hamiltonian due to permanent presence of uncorrelated states at Fermi level. We conclude study
of 5f-materials presenting tight-binding parametrization and exploring magnetic characteristics.
Note (type = degree)
Ph.D.
Note (type = bibliography)
Includes bibliographical references (p. 142-151).
Subject (ID = SUBJ1); (authority = RUETD)
Topic
Physics and Astronomy
Subject (ID = SUBJ2); (authority = ETD-LCSH)
Topic
Metal-insulator transitions
Subject (ID = SUBJ3); (authority = ETD-LCSH)
Topic
Electron-electron interactions
Subject (ID = SUBJ4); (authority = ETD-LCSH)
Topic
Condensed matter
Subject (ID = SUBJ5); (authority = ETD-LCSH)
Topic
Many-body problem
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TitleInfo
Title
Graduate School - New Brunswick Electronic Theses and Dissertations
Identifier (type = local)
rucore19991600001
Identifier (type = hdl)
http://hdl.rutgers.edu/1782.2/rucore10001600001.ETD.17230
Identifier
ETD_592
Location
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NjNbRU
Identifier (type = doi)
doi:10.7282/T3VM4CNN
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The author owns the copyright to this work.
Copyright
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Availability
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Open
AssociatedEntity (AUTHORITY = rulib); (ID = 1)
Name
Antonina Toropova
Role
Copyright holder
Affiliation
Rutgers University. Graduate School - New Brunswick
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Non-exclusive ETD license
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Author Agreement License
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I hereby grant to the Rutgers University Libraries and to my school the non-exclusive right to archive, reproduce and distribute my thesis or dissertation, in whole or in part, and/or my abstract, in whole or in part, in and from an electronic format, subject to the release date subsequently stipulated in this submittal form and approved by my school. I represent and stipulate that the thesis or dissertation and its abstract are my original work, that they do not infringe or violate any rights of others, and that I make these grants as the sole owner of the rights to my thesis or dissertation and its abstract. I represent that I have obtained written permissions, when necessary, from the owner(s) of each third party copyrighted matter to be included in my thesis or dissertation and will supply copies of such upon request by my school. I acknowledge that RU ETD and my school will not distribute my thesis or dissertation or its abstract if, in their reasonable judgment, they believe all such rights have not been secured. I acknowledge that I retain ownership rights to the copyright of my work. I also retain the right to use all or part of this thesis or dissertation in future works, such as articles or books.
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