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Structure-dependent electronic properties of oxides from first principles
Descriptive
TitleInfo
Title
Structure-dependent electronic properties of oxides from first principles
Name
(type = personal)
NamePart
(type = family)
Zhou
NamePart
(type = given)
Yuanjun
NamePart
(type = date)
1987-
DisplayForm
Yuanjun Zhou
Role
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author
Name
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Rabe
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Karin M
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Karin M Rabe
Affiliation
Advisory Committee
Role
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chair
Name
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NamePart
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Cizewski
NamePart
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Jolie A
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Jolie A Cizewski
Affiliation
Advisory Committee
Role
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internal member
Name
(type = personal)
NamePart
(type = family)
Friedan
NamePart
(type = given)
Daniel
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Daniel Friedan
Affiliation
Advisory Committee
Role
RoleTerm
(authority = RULIB)
internal member
Name
(type = personal)
NamePart
(type = family)
Chandra
NamePart
(type = given)
Premala
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Premala Chandra
Affiliation
Advisory Committee
Role
RoleTerm
(authority = RULIB)
internal member
Name
(type = personal)
NamePart
(type = family)
Fernandez-Serra
NamePart
(type = given)
Marivi
DisplayForm
Marivi Fernandez-Serra
Affiliation
Advisory Committee
Role
RoleTerm
(authority = RULIB)
outside member
Name
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NamePart
Rutgers University
Role
RoleTerm
(authority = RULIB)
degree grantor
Name
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NamePart
Graduate School - New Brunswick
Role
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school
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Text
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theses
OriginInfo
DateCreated
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2015
DateOther
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(type = degree)
2015-10
CopyrightDate
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2015
Place
PlaceTerm
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xx
Language
LanguageTerm
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(type = code)
eng
Subject
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Topic
Physics and Astronomy
RelatedItem
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TitleInfo
Title
Rutgers University Electronic Theses and Dissertations
Identifier
(type = RULIB)
ETD
Identifier
ETD_6690
PhysicalDescription
Form
(authority = gmd)
electronic resource
InternetMediaType
application/pdf
InternetMediaType
text/xml
Extent
1 online resource (xvi, 110 p. : ill.)
Note
(type = degree)
Ph.D.
Note
(type = bibliography)
Includes bibliographical references
Subject
(authority = ETD-LCSH)
Topic
Metal-insulator transitions
Subject
(authority = ETD-LCSH)
Topic
Oxides
Abstract
(type = abstract)
This thesis contains several investigations on the structure dependent electronic properties of oxides, studied via first-principle calculations or tight-binding models. We start by reviewing the background of structure correlated properties and functionalities in transition metal oxides, followed by the introduction of the density functional theory which will be used throughout this thesis. We next consider the spin-phonon coupling effect for SrMnO3/LaMnO3 superlattice with epitaxial strain. We explain the origin of the intriguing emergence of the large spin-phonon coupling effect for tensile strain. As the study of superlattice goes on, we realize the emergent need of a systematic way to determine the ground state structure for superlattices. Thus we develop the “stacking method” to solve this problem, and test it using PbTiO3/SrTiO3 whose structure is known to be complicated. We then use the stacking method for the further study on epitaxially strained SrCrO3/SrTiO3 superlattice, and find a nonpolar-polar structural transition along with a metal-insulator transition. We conclude that the polar structure induces an orbital ordering, leading to the insulating state. We also study the interband transition effect in the epitaxially strained SrVO3, and show that the suppressed interband transitions lead to the significant transmittance for SrVO3 thin films. Finally we define the surface polarization effect for those surfaces where in-plane inversion symmetry is broken. We extend the Berry-phase theory of the bulk polarization to the case of surface polarization by formulating the problem in the hybrid Wannier representation. The surface polarization is in agree with the accumulating charge at the common edge of two facets as expected.
Note
(type = statement of responsibility)
by Yuanjun Zhou
RelatedItem
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TitleInfo
Title
Graduate School - New Brunswick Electronic Theses and Dissertations
Identifier
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rucore19991600001
Location
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(displayLabel = Rutgers, The State University of New Jersey)
NjNbRU
Identifier
(type = doi)
doi:10.7282/T3V69MMV
Genre
(authority = ExL-Esploro)
ETD doctoral
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Rights
RightsDeclaration
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The author owns the copyright to this work.
RightsHolder
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Name
FamilyName
Zhou
GivenName
Yuanjun
Role
Copyright Holder
RightsEvent
Type
Permission or license
DateTime
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(point = start)
2015-08-31 22:07:47
AssociatedEntity
Name
Yuanjun Zhou
Role
Copyright holder
Affiliation
Rutgers University. Graduate School - New Brunswick
AssociatedObject
Type
License
Name
Author Agreement License
Detail
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.
Copyright
Status
Copyright protected
Availability
Status
Open
Reason
Permission or license
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Technical
RULTechMD
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ETD
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windows xp
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