Title :
A new potential for lithium niobate and its application in the calculation of structure and defect properties
Author :
Jackson, R.A. ; Valerio, M.E.G. ; Lengyel, K. ; Kovacs, L.
Author_Institution :
Sch. of Chem. & Phys., Keele Univ., UK
Abstract :
This paper describes the derivation of a new interatomic potential for lithium niobate, and its use in the calculation of lattice and intrinsic defect properties of the material. As an example of extrinsic defects, magnesium doping is considered. The results are compared with relevant experimental data.
Keywords :
crystal defects; crystal structure; ferroelectric materials; lithium compounds; magnesium; LiNbO3:Mg; defect properties; extrinsic defects; interatomic potential; intrinsic defect properties; lattice defect; lithium niobate; magnesium doping; structure properties; Dielectric materials; Doping; Ferroelectric materials; Lattices; Lithium niobate; Magnesium; Materials testing; Niobium; Photorefractive materials; Physics;
Conference_Titel :
Electrets, 2005. ISE-12. 2005 12th International Symposium on
Print_ISBN :
0-7803-9116-0
DOI :
10.1109/ISE.2005.1612426
