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Positron Annihilation in Perfect and Defective TiO<sub>2</sub> Rutile Crystal with Single Particle Wave Function: Slater Type Orbital and Modified Jastrow Functions
Faculty of Physics and Engineering Physics, University of Science, Ho Chi Minh City, Vietnam
Faculty of Physics and Engineering Physics, University of Science, Ho Chi Minh City, Vietnam
Swinburne University of Technology, Melbourne, Australia
Faculty of Physics and Engineering Physics, University of Science, Ho Chi Minh City, Vietnam
- 1 Faculty of Physics and Engineering Physics, University of Science, Ho Chi Minh City, Vietnam
- 2 Faculty of Physics and Engineering Physics, University of Science, Ho Chi Minh City, Vietnam
- 3 Swinburne University of Technology, Melbourne, Australia
- 4 Faculty of Physics and Engineering Physics, University of Science, Ho Chi Minh City, Vietnam
World Journal of Nuclear Science and Technology·Volume 04 (2013)·Pages 33–39·Published 12 December 2013·DOI10.4236/wjnst.2014.41006
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Abstract
Positron annihilation in TiO 2 rutile crystal is studied by an assumption that a positron binds with valance electrons of a titanium dioxide to form a pseudo TiO 2- positron molecule before it annihilates with these electrons. The orbital modification consisting of explicit electron-positron and electron-electron correlation in each electronic orbital is used for the electrons and positron wave functions. By these wave functions, the calculation results of the positron lifetimes in unmitigated and defective TiO 2 crystals are about 170 ps, 266 ps and 243 ps, respectively. These results are in good agreement with experimental data of the positron lifetimes in vacancies of TiO 2 from 180 ps to 300 ps.
KeywordsPositronAnnihilationJastrowLifetimeVQMCTiO<sub>2</sub>
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