Physics Commons^™

Electronic, Thermoelectric And Optical Properties Of Vanadium Oxides: Vo2, V2o3 And V2o5, Chiranjivi Lamsal

Dissertations

Correlated electrons in vanadium oxides are responsible for their extreme sensitivity to external stimuli such as pressure, temperature or doping. As a result, several vanadium oxides undergo insulator-to-metal phase transition (IMT) accompanied by structural change. Unlike vanadium pentoxide (V₃O₃), vanadium dioxide (VO₃) and vanadium sesquioxide (V₃O₃) show I MT in their bulk phases. In this study, we have performed one electron Kohn-Sham electronic band-structure calculations of VO₃, V₃O₃ and V₂O₅ in both metallic and insulating phases, implementing a full ab-initio simulation package …

Mechanical, Electronic And Optical Properties Of Multi-Ternary Semiconductor Alloys, Dongguo Chen

Dissertations

The ability to obtain tunable properties with composition makes multi-ternary alloys extremely useful for a variety of applications in semiconductor devices and is of significant interest in experimental and theoretical research. This dissertation investigates the mechanical, electronic and optical properties of multi-ternary, i.e., binary, ternary and quaternary, semiconductor alloys using analytical methods and first-principles calculations.

For the calculations of mechanical properties, existing models on the average shear modulus of III-V & II-VI binary semiconductors are revised. New expressions are developed for the average Young’s modulus as well as the shear modulus and Young’s modulus on (111) plane for these compounds. …