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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|
|Keywords:||amorphous dielectrics, gate dielectrics, high-k dielectrics, rattling ion effect|
|Research Areas:||Electronics, Ceramics, Materials Science|