Structural correlations at Si/Si3N4 interface and atomic stresses in Si/Si3N4 nanopixel-10 million-atom molecular dynamics simulation on parallel computers

• We have combined first-principle calculations of charge transfer at the Si/Si3N4 interface with the interaction potential models for bulk Si and Si3N4 to produce a model for the Si/Si3N4 interface. Using these interatomic potentials, million atom molecula

Nyckelord

molecular dynamics; Si; Si3N4/Si interface; simulation; Si3N4; SILICON-NITRIDE; ELECTRONIC-STRUCTURE; MORPHOLOGY; STRAIN; FILMS; DEFECT

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