Electronic transport properties have been used to classify and characterize materials and describe their functionality. Recent surge in computational power has enabled computational modelling and accelerated theoretical studies to complement and accelerate experimental discovery of novel materials. This work looks at methods for theoretical calculations of electronic transport properties and addresses the limitations of a common approximation in the calculation of these properties, namely, the constant relaxation time approximation (CRTA). This work takes a look at the limitations of this approximation and introduces energy and temperature dependent relaxation times. This study is carried out on models and real systems and compared with experiments.
| Identifer | oai:union.ndltd.org:unt.edu/info:ark/67531/metadc1944209 |
| Date | 05 1900 |
| Creators | Jayaraj, Anooja |
| Contributors | Buongiorno Nardelli, Marco, Andreussi, Oliviero, Wang, Yuanxi, Du, Jingcheng |
| Publisher | University of North Texas |
| Source Sets | University of North Texas |
| Language | English |
| Detected Language | English |
| Type | Thesis or Dissertation |
| Format | Text |
| Rights | Public, Jayaraj, Anooja, Copyright, Copyright is held by the author, unless otherwise noted. All rights Reserved. |
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