Date of Award
2009-01-01
Degree Name
Master of Science
Department
Physics
Advisor(s)
Murat Durandurdu
Abstract
The behavior of SnO2 under rapid hydrostatic pressures is studied using constant-pressure ab initio simulations. The rutile-type SnO2 gradually transforms into the CaCl2-type structure at 15 GPa. At a pressure of about 20 GPa, a phase transformation into a cubic fluorite-type structure is observed. The orthorhombic Pnma cotunnite-structured phase is observed above 150 GPa. The mechanisms of these phase transformations at the atomistic level are discussed.
Language
en
Provenance
Received from ProQuest
Copyright Date
2009
File Size
63 pages
File Format
application/pdf
Rights Holder
Daniel Tesfai Yehdego
Recommended Citation
Yehdego, Daniel Tesfai, "Pressure Induced Phase Transformation of SnO2: An ab initio constant pressure study" (2009). Open Access Theses & Dissertations. 2813.
https://scholarworks.utep.edu/open_etd/2813