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Computational study of the dielectric properties of [La,Sc]2O3 solid solutions



Hiroyoshi Momida, Eric J. Cockayne, Naoto Umezawa, Takahisa Ohno


First-principles calculations were used to compute the dielectric permittivities of hypothetical [La,Sc]2O3 solid solutions in the cubic (bixbyite) and hexagonal La2O3 phases. Dielectric enhancement is predicted at small Sc concentrations due to the rattling ion effect. Similar calculations for a model amorphous La2O3 struture show little change in permittivity when a small amount of Sc is substituted for La. In this case, the local environment around the Sc changes in a way that compensates for the rattling ion effect.
Applied Physics Letters


amorphous dielectrics, gate dielectrics, high-k dielectrics, rattling ion effect


Momida, H. , Cockayne, E. , Umezawa, N. and Ohno, T. (2010), Computational study of the dielectric properties of [La,Sc]<sub>2</sub>O<sub>3</sub> solid solutions, Applied Physics Letters (Accessed April 16, 2024)
Created July 10, 2010, Updated October 12, 2021