Please use this identifier to cite or link to this item:
|Title:||Study on vacancy formation in ferroelectric PbTiO3 from ab initio|
|Authors:||Zhang, Z. |
|Source:||Zhang, Z., Wu, P., Lu, L., Shu, C. (2006-04-03). Study on vacancy formation in ferroelectric PbTiO3 from ab initio. Applied Physics Letters 88 (14) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.2192623|
|Abstract:||Formation energies of possible vacancies under different oxygen partial pressures were studied using an ab initio density functional theory and supercell approach. Under oxygen-rich conditions, lead vacancies are the stable ones throughout the band gap, and their ionization level locates at 0.56 eV from the top of valence band, which may contribute to p -type conduction. Under oxygen-poor conditions, oxygen vacancies are the stable ones at the top of the valence band. It is a deep donor that may not only dilute the acceptor carriers to weaken the p -type conduction but hardly contribute to n -type conduction. © 2006 American Institute of Physics.|
|Source Title:||Applied Physics Letters|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Feb 28, 2018
WEB OF SCIENCETM
checked on Mar 5, 2018
checked on Feb 25, 2018
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.