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Resistive Random Access Memory (ReRAM) has attracted significant attention recently, as it is now considered as the promising candidate for the next generation of non-volatile memory device, due to its high density, low operating power, fast switching speed, and compatibility with conventional CMOS process. Among many resistance switching materials, TiO2 has been widely studied. However, the most challenging issue is that the underlying switching mechanism is lacking in-depth understanding. It has been proposed that the resistance switching is strongly coupled with the presence and a preferential distribution of oxygen vacancies involving the formation of a conductive filament. Although many experiments have been done to address the switching mechanism during the last decade, it is hard to figure out what happens at microscopic level. Therefore, systematic interpretation about the microscopic details of the role of oxygen vacancies in the formation of a conductive filament is essential. To address the conduction and the resistance switching mechanism, the effect of oxygen vacancies on the electronic structures in TiO2 has been investigated using first principles calculations based on density functional theory. In this dissertation, we report "ON"-state (Low Resistance State) conduction mechanism of rutile TiO2 including oxygen vacancies, and then the transition from "ON" to "OFF"-state (High Resistance State) is investigated. Although it is known that TiO2 exhibits n-type semiconducting property with extra electrons generated by the formation of oxygen vacancies, "ON" and "OFF"-state conductivity during resistance switching cannot be explained by isolated single oxygen vacancy. We calculated electronic characteristics such as density of states, electron localization function, band decomposed charge density distribution, and energy band structure, and show the influence of oxygen vacancy configurations on these properties and on the resistance change. Oxygen vacancy ordering and diffusion of either oxygen vacancy or hydrogen impurities have a significant impact on both the formation of the conductive filament and the transition from "ON" to "OFF"-state. Results from this study indicate that the "ON"-state conduction and resistance switching model that can be ascribed to the formation and rupture of conductive filament consisting of oxygen vacancy-ordered structure.
With its comprehensive coverage, this reference introduces readers to the wide topic of resistance switching, providing the knowledge, tools, and methods needed to understand, characterize and apply resistive switching memories. Starting with those materials that display resistive switching behavior, the book explains the basics of resistive switching as well as switching mechanisms and models. An in-depth discussion of memory reliability is followed by chapters on memory cell structures and architectures, while a section on logic gates rounds off the text. An invaluable self-contained book for materials scientists, electrical engineers and physicists dealing with memory research and development.
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The engineering of materials with advanced features is driving the research towards the design of innovative materials with high performances. New materials often deliver the best solution for structural applications, precisely contributing towards the finest combination of mechanical properties and low weight. The mimicking of nature's principles lead to a new class of structural materials including biomimetic composites, natural hierarchical materials and smart materials. Meanwhile, computational modeling approaches are the valuable tools complementary to experimental techniques and provide significant information at the microscopic level and explain the properties of materials and their very existence. The modeling also provides useful insights to possible strategies to design and fabricate materials with novel and improved properties. The book brings together these two fascinating areas and offers a comprehensive view of cutting-edge research on materials interfaces and technologies the engineering materials. The topics covered in this book are divided into 2 parts: Engineering of Materials, Characterizations & Applications and Computational Modeling of Materials. The chapters include the following: Mechanical and resistance behavior of structural glass beams Nanocrystalline metal carbides - microstructure characterization SMA-reinforced laminated glass panel Sustainable sugarcane bagasse cellulose for papermaking Electrospun scaffolds for cardiac tissue engineering Bio-inspired composites Density functional theory for studying extended systems First principles based approaches for modeling materials Computer aided materials design Computational materials for stochastic electromagnets Computational methods for thermal analysis of heterogeneous materials Modelling of resistive bilayer structures Modeling tunneling of superluminal photons through Brain Microtubules Computer aided surgical workflow modeling Displaced multiwavelets and splitting algorithms