Interplay between structure and chemistry of materials and their physical properties
First principles calculations provide a powerful tool for sorting out the interplay of chemical composition and structure with the physical properties of materials. In this dissertation, I discuss the physical properties and their microscopic basis within this framework for following illustrative ex...
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| Format: | Others |
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Trace: Tennessee Research and Creative Exchange
2010
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| Online Access: | http://trace.tennessee.edu/utk_graddiss/852 |