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

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Author(s): Hiroyoshi Momida; Eric J. Cockayne; Naoto Umezawa; Takahisa Ohno;
Title: Computational study of the dielectric properties of [La,Sc]2O3 solid solutions
Published: July 11, 2010
Abstract: 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.
Citation: Applied Physics Letters
Volume: 107
Pages: 5 pp.
Keywords: amorphous dielectrics; gate dielectrics; high-k dielectrics; rattling ion effect
Research Areas: Electronics, Ceramics, Materials Science