A computational study of intrinsic and extrinsic defects in LiNbO 3

Romel M. Araujo, K. Lengyel, Robert A. Jackson, L. Kovács, Mário E G Valerio

Research output: Contribution to journalArticle

38 Citations (Scopus)

Abstract

Lithium niobate is a material with many important technological applications as a result of its diverse physical properties. Using a recently derived interatomic potential, intrinsic defect energies have been calculated leading to conclusions about the defect properties of the material that are compared with experimental conclusions. The incorporation of dopant ions into the structure is also considered, and solution energies are calculated, which enable predictions to be made about which ions are most easily added and which solution energy schemes are favoured energetically.

Original languageEnglish
Article number046211
JournalJournal of Physics Condensed Matter
Volume19
Issue number4
DOIs
Publication statusPublished - Jan 31 2007

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Ions
Defects
defects
Lithium
Physical properties
Doping (additives)
lithium niobates
energy
ions
physical properties
predictions
lithium niobate

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

A computational study of intrinsic and extrinsic defects in LiNbO 3 . / Araujo, Romel M.; Lengyel, K.; Jackson, Robert A.; Kovács, L.; Valerio, Mário E G.

In: Journal of Physics Condensed Matter, Vol. 19, No. 4, 046211, 31.01.2007.

Research output: Contribution to journalArticle

Araujo, Romel M. ; Lengyel, K. ; Jackson, Robert A. ; Kovács, L. ; Valerio, Mário E G. / A computational study of intrinsic and extrinsic defects in LiNbO 3 In: Journal of Physics Condensed Matter. 2007 ; Vol. 19, No. 4.
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