A transmission electron microscopy study involving direct and replicating techniques is directed to a definition of the microstructure of radio frequency-sputtered, thin lead-dielectric cermet films. Once defined, this microstructure is used to obtain theoretical film refractive indices. The Maxwell Garnet theory provides a basis for the theoretical results. Measurements of film transmission and reflectivity are used to obtain rough experimental values for film refractive indices by the Tekucheva method. More exact values are obtained via ellipsometry. The rough Tekucheva values are used to determine the range over which computer calculations interpreting the ellipsometric results must be made. This technique yields accurate values for the film refractive indices. The films are radio-frequency-sputtered from lead glass targets with varying amounts of lead attached to their faces. Three different targets are used, resulting in three sets of films, each containing a different percentage of lead. The lead content of the films is measured by microprobe analysis as well as visual inspection of micrographs. The lower content lead films are seen to consist of tiny balls of lead embedded in the dielectric, as are the intermediate lead content films; but the higher lead content films form metallic networks throughout the dielectric. The lower and intermediate lead content films have indices which agree with the predictions of the Maxwell Garnett theory; but the higher lead content films, whose structure fails to conform to the Maxwell Garnett configuration, have indices whose values diverge from the Maxwell Garnett predictions. It is thus shown that the theory of Maxwell Garnett is valid for thin cermet films whose structure consists of tiny metal balls embedded in a dielectric medium. / Ph. D.

The development of efficient, high-performance materials for electrical energy storage and conversion applications has become a must to meet an ever-increasing need for electrical energy. Among devices developed for this purpose, capacitors have been used for pulsed power applications that require large power density with millisecond-scale charge and discharge. However, conventional polymeric films, which possess high breakdown strength, are limited due to low permittivity and hence compromise the energy storage capability of capacitors. In order to develop high energy density dielectric materials for pulsed power applications, two hurdles must be overcome: 1) the appropriate selection of materials that possess not only large permittivity but also high breakdown strength, 2) the optimization of material processing to improve morphology of dielectric films to minimize loss during energy extraction process. This thesis will present the development of novel dielectric material, with emphasis on the optimization of material and thin film processing toward improved morphology as ways to achieve high energy density at the material level. After first two chapters of introduction and experimental details, Chapter 3 will demonstrate the improvement of nanocomposite morphology via processing optimization and study its effect on the energy storage characteristics of nanocomposites thereof. Chapter 4 will investigate dielectric sol-gel materials containing dipolar cyano side groups, which are relatively a new class of material for pulsed power applications. Finally, Chapter 5 will discuss the effect of tunneling barrier layer on sol-gel films to mitigate charge carrier injection and associated conduction and breakdown phenomena, which would be significantly detrimental to the energy storage performance of dielectric sol-gel films.

We have investigated the structure and interfacial structure of two types of high-k dielectric thin films on Si using combined experimental and theoretical approaches. In the Hf-based high- k dielectrics, the crystallinity of three films, pure HfO2, Y-incorporated HfO2 and Al-incorporated HfO2, is examined by transmission electron diffraction (TED), and the local coordination symmetries of the Hf atoms in the films are revealed by the profile of electron energy-loss near-edge structure (ELNES) taken at oxygen K-edge. These ELNES spectra are then simulated using real-space multiple-scattering (RSMS) method. We find a good agreement between the experimental and the simulated result of pure HfO2. The incorporation of Y indeed stabilizes HfO 2 to a cubic structure, but it also contributes to possible lattice distortion and creation of complex defect states, causing discrepancies between the experimental and the simulated result. As a comparison, the local coordination symmetry of Hf is largely degraded upon the incorporation of Al, which not only amorphorizes HfO2, but also introduces significantly amount of O vacancies in the film. We have further investigated the interfacial structures of HfO2 and Al-incorporated HfO2 thin films on Si using spatially resolved ELNES, which a series of the oxygen K-edge spectra is acquired when a 0.3 nm electron probe scanning across the film/Si interface. We find that interfaces are not atomically sharp, and variation in the local coordination symmetry of Hf atoms lasts for a couple of monolayers for both the HfO2 and the Al-incorporated HfO2 samples. Annealing of the HfO2 film in the oxygen environment leads to the formation of a thick SiO2/SiOx stack layer in-between the original HfO2 and the Si substrate. As a comparison, the interfacial stability is significantly improved by incorporating Al into the HfO 2 film to form HfAlO, which effectively reduces/eliminates the interfacial silicon oxide formation during the oxygen annealing process. The interfacial structure of SiTiO3 (STO) dielectric and Si is significant different from that between Hf-based dielectric and Si, as the crystalline STO is epitaxially grown on the Si. Together with the high resolution high-angle annular-dark-field (HAADF) image, the spatially resolved ELNES acquired across the STO/Si interface reveal an amorphous interfacial region of 1-2 monolayer thickness, which is lack of Sr, but contains Ti, Si, and O. Based on these experimental evidences, we propose a classical molecular dynamic (MD) interface model, in which the STO is connected to Si by a distorted Ti-O layer and a complex Si-O layer. The simulated results, based on the MD interface model, generally agree with the experimental results, disclosing a gradual change of the local atomic coordination symmetry and possible defect incorporation at the interface. / Wang, Xiaofeng = Si衬底上高k介电薄膜的结构研究 / 王晓峰. / Adviser: Li Quan. / Source: Dissertation Abstracts International, Volume: 72-11, Section: B, page: . / Thesis (Ph.D.)--Chinese University of Hong Kong, 2009. / Includes bibliographical references (leaves 103-112). / Electronic reproduction. Hong Kong : Chinese University of Hong Kong, [2012] System requirements: Adobe Acrobat Reader. Available via World Wide Web. / Electronic reproduction. [Ann Arbor, MI] : ProQuest Information and Learning, [201-] System requirements: Adobe Acrobat Reader. Available via World Wide Web. / Abstract also in Chinese. / Wang, Xiaofeng = Si chen di shang gao k jie dian bo mo de jie gou yan jiu / Wang Xiaofeng.

The continual downscaling of the thickness of the SiO₂ layer in the complementary metal oxide semiconductor (CMOS) transistors has been one of the main driving forces behind the growth of the semiconductor industry for past 20-30 years. The gate dielectric works as a capacitor and therefore the reduction in thickness results in increase of capacitance and the speed of the device. However, this process has reached the limit when the further reduction of the SiO₂ thickness will result in a leakage current above the acceptable limit, especially for mobile devices. This problem can be resolved by replacing SiO₂ with materials which have higher dielectric constants (high-k). The leading candidates to replace SiO₂ as a gate material are hafnium dioxide and hafnium silicate. However, several problems arise when using these materials in the device. One of them is to find p and n type gate metals to match with the valence and conduction band edges of silicon. This problem can be rooted in lack of our understanding of the band alignment and its controlling mechanisms between the materials in the gate stack. Theoretical simulations using density functional theory can be very useful to address such problems. In this dissertation present a theoretical study of the band alignment between HfO₂ and SiO₂ interface. We identify oxygen coordination as a governing factor for the band alignment. Next, we discuss effects of Al incorporation on the band alignment at the SiO₂/HfO₂ interface. We find that one can tune the band alignment by controlling the concentration of Al atoms in the stack. We also perform a theoretical study of HfO₂/Metal interface in case of Rh. We identify Rh as a good candidate for a p-type gate metal due to its large work-function and the low oxidation energy. Finally, we report a study of the stability of oxygen vacancies across the gate stack. We model a gate stack composed of n-Si/SiO₂/HO₂/Rh. We find that oxygen vacancies are easier to create in SiO₂ than in HfO₂. Also, vacancies in HfO₂ modify the band alignment, while in SiO₂ they have no effect. / text

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The objective of this thesis is to understand and improve optical and electrical confinement to achieve cost-effective high-efficiency thin p-type Si solar cells. Optical confinement is achieved by front surface texturing in conjunction with an internal reflective layer on the back surface. Electrical confinement is obtained through the use of a high-lifetime material coupled with high-quality passivation on both surfaces. This research is divided into five tasks. In the first task, Ga-doped Cz Si was investigated to achieve a high and stable lifetime. It was found that for 1 ohm-cm nominal-resistivity screen-printed Al-back surface filed (BSF) cells, the Ga-doped ingot gave ~1.5% higher absolute efficiency after light-soaking relative to the B-doped counterpart. The benefit of using Ga is therefore quite explicit. In the second task, the screen-printed Al-BSF was investigated to explore its potential and limitations for achieving high-efficiency cells. It was found that there exists a critical alloying temperature for a given Al-thickness, above which the Al-BSF becomes non-uniform and cell performance starts to degrade. This puts a limit on the quality of the Al-BSF that can be achieved. An alternative way of back passivation involving dielectric/metal layers was therefore explored. In Task three, two key requirements for achieving high-efficiency dielectric back-passivated cells were established through device modeling. These are (1) a formation of a high-quality BSF underneath the local back contact through vias in the dielectric and (2) a high-quality dielectric passivation with either a moderate positive charge density or a high negative charge density. Task four involved the development of a metallization technique through vias in the dielectric to achieve a high-quality contact and an efficient internal reflector in conjunction with a high-quality local BSF. Further, a novel dielectric system composed of a spin-on SiO<SUB>2</SUB> layer capped with SiN<SUB>x</SUB> was developed that exhibited excellent passivation and a moderate positive charge density. The final task involved fabrication and analysis of dielectric back-passivated cells. The new dielectric and process sequence developed in this thesis resulted in screen-printed solar cells with efficiency as high as 19% with the potential for 20% efficient cells on 100-µm thick Si substrates.

Thesis (Ph. D.)--University of Texas at Austin, 2008. / Vita. Includes bibliographical references.

Thesis (Ph. D.)--Oregon State University, 2009. / Printout. Includes bibliographical references (leaves 165-173). Also available on the World Wide Web.