Computational study of the dielectric properties of [La,Sc]2O3 solid solutions
作者： Hiroyoshi Momida , Eric Cockayne , Naoto Umezawa , Takahisa Ohno
DOI: 10.1063/1.3360935
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摘要: First-principles calculations were used to compute the dielectric permittivities of hypothetical [La,Sc]2O3 solid solutions in cubic (bixbyite) and hexagonal La2O3 phases. Dielectric enhancement is predicted at small Sc concentrations due rattling ion effect. Similar for a model amorphous structure show little change permittivity when amount substituted La. In this case, local environment around changes way that compensates
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