First-Principles Study of Point Defects in LaAlO₃

dc.contributor.author	Zheng, J.X.
dc.contributor.author	Ceder, Gerbrand
dc.contributor.author	Chim, Wai Kin
dc.contributor.author	Choi, Wee Kiong
dc.date.accessioned	2007-01-31T15:58:51Z
dc.date.available	2007-01-31T15:58:51Z
dc.date.issued	2007-01
dc.identifier.uri	http://hdl.handle.net/1721.1/35829
dc.description.abstract	In this study, the native point defects including oxygen vacancy and interstitial, metal (La, Al) vacancy and interstitial, and metal antisite in perovskite LAO are studied. Defect formation energies are studied as a function of the external chemical potentials and Fermi level. The stable defects are identified under different external chemical potentials and Fermi levels. The effect of image charge corrections is also investigated. Finally, based on results in this study, optimal growth conditions can be proposed to achieve better defect engineering for LAO gate dielectrics.	en
dc.description.sponsorship	Singapore-MIT Alliance (SMA)	en
dc.format.extent	150973 bytes
dc.format.mimetype	application/pdf
dc.language.iso	en	en
dc.relation.ispartofseries	Advanced Materials for Micro- and Nano-Systems (AMMNS)	en
dc.subject	High-K Gate Dielectrics	en
dc.subject	First-Principles Calculation	en
dc.subject	Point Defect	en
dc.title	First-Principles Study of Point Defects in LaAlO₃	en
dc.type	Article	en