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Meeting 2018 TMS Annual Meeting & Exhibition
Symposium Frontiers in Advanced Functional Thin Films and Nanostructured Materials
Presentation Title Point Defect Energetics at Oxide Heterointerfaces
Author(s) Tim McMaster, Gaurav Arora, Dilpuneet Aidhy
On-Site Speaker (Planned) Dilpuneet Aidhy
Abstract Scope Previous work has shown that oxygen vacancy migration barrier decreases under the influence of tensile strain in oxide ceramics. However, an expected concomitant increase in the oxygen conductivity has not been unequivocally observed experimentally. Recent work indicates that, while the kinetics at strained interfaces is favorable to increasing conductivity, the thermodynamics, i.e., dopant-oxygen vacancy binding energies, might actually be the limiting bottleneck. Stronger binding sequesters oxygen vacancies thereby reducing the maximum achievable conductivity. Therefore, understanding the influence of interfacial strain on the binding energetics could be the key towards opening fast diffusion pathways. While working on fluorite interfaces such as CeO2 | ZrO2, using atomistic calculations, we show that the binding energies are significantly higher at the interfaces that in the bulk. In addition, we elucidate the effect of interfacial strain on dopant segregation at interfaces. We also show that the dopant segregation can be controlled via the interfacial strain.
Proceedings Inclusion? Planned: Supplemental Proceedings volume

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A New Approach to Align CNTs in CNT Films
A Structural Analysis of the Epitaxial Ni/VO2 Heterostructure Integrated on Si(001)
An Investigation of the Relationship between Mechanical and Optical Properties of Transparent Metal Oxide Multilayers
Control of Nucleation of 3C-SiC Utilizing Screw Dislocations in 6H-SiC
Defects in Nanoscale Transitional Metal Di-chalcogenide Semiconducting Layers
Diamond Epitaxy for High Power and High Temperature Electronics
Discovery of Ferromagnetism and High-temperature Superconductivity in Q-carbon
Effect of Geometrical Defects on Thermal and Mechanical Properties of Metal-coated Multi-walled Carbon Nanotubes
Effect of Process Parameters on Phase Stability and Metal-insulator Transition of Vanadium Dioxide (VO2) Thin Films by Pulsed Laser Deposition (PLD)
Engineering Elastic Strain Gradients to Tune the Electrical Properties of Semiconductors for Thermoelectric Applications
Epitaxial Growth of Advanced Ceramic and Metal Films
Functionalization of Transparent Oxide Thin Films Using Silicon Doped Nanoparticles
Functionalized Graphene-polyoxometalate Nanodots Assembly as “Organic-inorganic” Hybrid Supercapacitors and Advanced Electrochemical Microscopy
Graphene Film Nano Geometry Control for Advanced Functional Properties
Graphitization and Growth of Free-standing Nanocrystalline Graphene Using In Situ Transmission Electron Microscopy
High-temperature Carbon-based Superconductors: B-doped Q-carbon
Hydrogen Plasma Annealing of E-Beam Evaporated SiO2 Tunnel Barriers
Kinetic Modeling of the Structural Transition in VO2 Thin Films
M-13: Anisotropic Magnetic Properties in BiFeO3/SrRuO3 and La0.7Ca0.3MnO3/SrRuO3 Heterostructures
M-14: Characterizing Nitrogen-vacancy (NV) Centers in Diamond Nanostructure Formed by Pulsed Laser Annealing Technique at Room Temperature and Ambient Pressure
M-15: How Good those are Mechanically Exfoliated MoS2 Mono Layered Devices at the Atomic Level?
M-16: Magnetic Anisotropy in Ni/VO2 Heterostructures
M-17: Nitrogen Vacancy Induced Room-temperature Ferromagnetism in TiN Epitaxial Thin Films via Ultrafast Laser Melting
M-18: Q-carbon Tribological Coatings on WC and Tool Steel
M-19: Synthesis and Mechanical Behavior of a Freestanding, Nanocrystalline NiTi Film under Cyclic Tensile Deformation
Materials Science in Two Dimensions
Nanoscience and Nanotechnology Using Energetic Ion Beams/Gamma Radiation/Lasers
Nanostructure Synthesis by Pulsed Laser Melting
Novel Synthesis and Characterization of Carbon-doped Cubic Boron Nitride (c-BN) by Pulsed Laser Annealing Technique
Oxide Epitaxy with Large Mismatch: Bronze-phase VO2 on SrTiO3
Physiochemical and Antioxidant Properites of CNPs Modulated by Anions of the Precursor
Point Defect Energetics at Oxide Heterointerfaces
Processing and Properties of Nanomaterials in the C-B-N System
Stabilization of Nanocrystalline Grain Size at Elevated Temperatures: Theory and Experiment
Structures and Mechanical Behavior of Metal-metal Nitride Nanolayered Films
Superhard Q-carbon Nanostructures Formed via Nanosecond Laser Melting and Ultrafast Quenching
Superlattices of Heusler Alloys for Engineering Magnetism and Electronic States
Thin Film and Coatings for Biomaterials Applications
Unraveling Self-Assembly Dynamics to Direct Higher Order
Unravelling Defects in Hybrid Perovskite Solar Cell Structures

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