The resistivity-size effect has emerged as an obstacle in our pursuit of ever shrinking electronic devices. Interconnects and vias are the nanoscale copper conductors connecting within and between layers of a CPU, respectively. New materials and methods are required to address this problem. In particular, there is a critical need for a theoretical framework which can evaluate the properties of new materials in a way that reflects real-world performance. To this end, a computational methodology is developed by introducing an ab initio parameterized tight-binding model to accurately calculate electronic structure and simulating electronic transport via the calculation of the Kubo-Greenwood conductivity tensor. Transport properties are computed using the kernel polynomial method, a highly scalable approach wherein physical quantities can be represented as a weighted sum of Chebyshev polynomials. Using this combined approach, it is possible to simulate mesoscale electronic transport for systems with over 10^6 sites containing various forms of realistic disorder. Through the use of ensemble calculations, an examination of resistivity due to surface disorder and disorder due to realistic phonon fields is presented.
| Identifer | oai:union.ndltd.org:ucf.edu/oai:stars.library.ucf.edu:etd2023-1294 |
| Date | 01 January 2024 |
| Creators | Richardson, William E |
| Publisher | STARS |
| Source Sets | University of Central Florida |
| Language | English |
| Detected Language | English |
| Type | text |
| Format | application/pdf |
| Source | Graduate Thesis and Dissertation 2023-2024 |
| Rights | In copyright |
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