Quantifying inhomogeneities in silicon-rich oxide thin films

Ivanda, Mile; Ristić, Davor; Ferrari, Maurizio; Speranza, Giorgo

doi:10.1117/2.1201303.004785

Cited by 2 publications

(1 citation statement)

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“…[47,48,49,50] In the case of glass forming oxides, this approach acts as a reasonable mimic of the experimental glass production process, albeit with a significantly higher cooling rate than achieved experimentally. [51] This approach has been applied to a-SiO 2 more than any other material, with a variety of objectives, such as structure prediction, defect characterization, kinetics of defect processes, and modeling of interfaces with other materials. [52,53,54,55,56,57] These approaches have produced structures that have been used to successfully identify defect centers, breakdown mechanisms, and many more atomistic phenomena.…”

Section: Introductionmentioning

confidence: 99%

Structural, elastic, vibrational and electronic properties of amorphous Sm2O3 from Ab Initio calculations

Olsson

Cai

Cottom

et al. 2019

Computational Materials Science

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Rare earth oxides have shown great promise in a variety of applications in their own right, and as the building blocks of complex oxides. A great deal of recent interest has been focused on Sm 2 O 3 , which has shown significant promise as a high-k dielectric and as a ReRAM dielectric. Experimentally, these thin films range from amorphous, through partially crystalline, to poly-crystalline, dependent upon the synthetic conditions. Each case presents a set of modelling challenges that need to be defined and overcome. In this work, the problem of modelling amorphous Sm 2 O 3 is tackled, developing an atomistic picture of the effect of amorphization on Sm 2 O 3 from a structural and electronic structure perspective.

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