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First-principles studies of magnetic...

Rondinelli, James M.

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First-principles studies of magnetic complex oxide heterointerfaces.

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	First-principles studies of magnetic complex oxide heterointerfaces./
作者:	Rondinelli, James M.
面頁冊數:	402 p.
附註:	Source: Dissertation Abstracts International, Volume: 71-10, Section: B, page: .
Contained By:	Dissertation Abstracts International71-10B.
標題:	Chemistry, Inorganic. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3422493
ISBN:	9781124218137

First-principles studies of magnetic complex oxide heterointerfaces.
Rondinelli, James M.

First-principles studies of magnetic complex oxide heterointerfaces. - 402 p.

Source: Dissertation Abstracts International, Volume: 71-10, Section: B, page: .

Thesis (Ph.D.)--University of California, Santa Barbara, 2010.

Despite the technological advancements driven by conventional semiconductors, continued improvements in nanoelectronics will require new materials with greater functionality. Perovskite-structured transition metal oxides with ABO3 stoichiometry are leading candidates that display amyriad of useful phenomena: ferroelectricity, magnetism, and superconductivity. Since these properties arise from correlated electronic interactions, field-tuning techniques make possible ultra-fast phase transitions between dramatically different states. Unfortunately, the integration of these materials into microelectronics has not yet occurred because of a fundamental lack in understanding how to predict and control these phase transitions at oxide--oxide heterointerfaces. The exceedingly difficult challenge of identifying the microscopic origins of interface electronic behavior is crucial to the functional design and discovery of next generation electronic materials.

ISBN: 9781124218137Subjects--Topical Terms:

517253
Chemistry, Inorganic.

First-principles studies of magnetic complex oxide heterointerfaces.
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245 1 0 $a First-principles studies of magnetic complex oxide heterointerfaces.
300 $a 402 p.
500 $a Source: Dissertation Abstracts International, Volume: 71-10, Section: B, page: .
500 $a Adviser: Nicola A. Spaldin.
502 $a Thesis (Ph.D.)--University of California, Santa Barbara, 2010.
520 $a Despite the technological advancements driven by conventional semiconductors, continued improvements in nanoelectronics will require new materials with greater functionality. Perovskite-structured transition metal oxides with ABO3 stoichiometry are leading candidates that display amyriad of useful phenomena: ferroelectricity, magnetism, and superconductivity. Since these properties arise from correlated electronic interactions, field-tuning techniques make possible ultra-fast phase transitions between dramatically different states. Unfortunately, the integration of these materials into microelectronics has not yet occurred because of a fundamental lack in understanding how to predict and control these phase transitions at oxide--oxide heterointerfaces. The exceedingly difficult challenge of identifying the microscopic origins of interface electronic behavior is crucial to the functional design and discovery of next generation electronic materials.
520 $a This dissertation focuses on developing that understanding at magnetic perovskite oxide heterointerfaces using first-principles (parameter free) density functional calculations. New ideas for oxide-oxide superlattice design emerge by considering the interfaces as entirely new complex materials: the interfacial electronic and magnetic structure in artificial geometries is genuinely different from those of the parent bulk materials due to changes in symmetry- and size-dependent properties. By isolating the role of the interacting electron-, orbital-, and spin-lattice degrees of freedom at the interfaces, I identify that the primary interaction governing the ground state derives from latent instabilities present in the bulk phases. The heteroepitaxial structural constraints enhance these modes to re-normalize the low energy electronic structure.
520 $a To develop insight into the role of thin film thickness and strain effects, I explore how the electronic and magnetic structures of single component films respond to the elastic constraints, in particular, whether ultra-thin layers of SrRuO3 are susceptible to a metal-insulator transition and if strained LaCoO3 films support reversible magnetic spin state transitions. I then examine how the interface between two dissimilar materials---a polarizable dielectric SrTiO3 and a ferromagneticmetal SrRuO 3---responds to an external electric field; I find a spin-dependent screening effect at the heterointerface that manifests as an interfacial magnetoelectric effect and makes possible electric-field control of magnetization. I then explore how the orbital degree of freedom in the electronically degenerate and magnetic SrFeO3 is modified by geometric confinement and changes in chemical bonding at a heterointerface with SrTiO3. I find lattice instabilities are enhanced in the superlattice, and their condensation leads to an electronic phase transition. By isolating the chemical effects at the heterointerface, I identify an additional route to control octahedral rotation patterns pervasive in perovskite oxides films through structural coherency. This study suggests a complementary strain-free avenue for functional thin film design. The materials understanding obtained from these first-principles calculations, when leveraged with new synthesis techniques, offers to have substantial impact on the search and control of new functionalities in oxide heterostructures.
590 $a School code: 0035.
650 4 $a Chemistry, Inorganic. $3 517253
650 4 $a Physics, Condensed Matter. $3 1018743
650 4 $a Engineering, Materials Science. $3 1017759
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710 2 $a University of California, Santa Barbara. $b Materials. $3 1034108
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790 1 0 $a Spaldin, Nicola A., $e advisor
790 1 0 $a Awschalom, David D. $e committee member
790 1 0 $a Palmstrom, Christopher J. $e committee member
790 1 0 $a Seshadri, Ram $e committee member
790 $a 0035
791 $a Ph.D.
792 $a 2010
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