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https://doi.org/10.1063/1.2192623
DC Field | Value | |
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dc.title | Study on vacancy formation in ferroelectric PbTiO3 from ab initio | |
dc.contributor.author | Zhang, Z. | |
dc.contributor.author | Wu, P. | |
dc.contributor.author | Lu, L. | |
dc.contributor.author | Shu, C. | |
dc.date.accessioned | 2014-10-07T09:11:05Z | |
dc.date.available | 2014-10-07T09:11:05Z | |
dc.date.issued | 2006-04-03 | |
dc.identifier.citation | 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 | |
dc.identifier.issn | 00036951 | |
dc.identifier.uri | http://scholarbank.nus.edu.sg/handle/10635/85698 | |
dc.description.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. | |
dc.description.uri | http://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1063/1.2192623 | |
dc.source | Scopus | |
dc.type | Article | |
dc.contributor.department | MECHANICAL ENGINEERING | |
dc.description.doi | 10.1063/1.2192623 | |
dc.description.sourcetitle | Applied Physics Letters | |
dc.description.volume | 88 | |
dc.description.issue | 14 | |
dc.description.page | - | |
dc.description.coden | APPLA | |
dc.identifier.isiut | 000236612000071 | |
Appears in Collections: | Staff Publications |
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