Diffusion of O vacancies near Si:Hf O2 interfaces

An ab initio investigation

C. Tang, Blair Richard Tuttle, R. Ramprasad

Research output: Contribution to journalArticle

38 Citations (Scopus)

Abstract

The tendency of oxygen vacancies to diffuse and segregate to the Si:Hf O2 interface is evaluated by performing first principles vacancy formation and migration energy calculations at various distances from the interface. These computations indicate that strong thermodynamic and kinetic driving forces exist for the segregation of oxygen vacancies to the interface, providing for a mechanism for the subsequent formation of interfacial phases.

Original languageEnglish (US)
Article number073306
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume76
Issue number7
DOIs
StatePublished - Aug 13 2007

Fingerprint

Oxygen vacancies
Vacancies
Thermodynamics
oxygen
energy of formation
Kinetics
tendencies
thermodynamics
kinetics
energy

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

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abstract = "The tendency of oxygen vacancies to diffuse and segregate to the Si:Hf O2 interface is evaluated by performing first principles vacancy formation and migration energy calculations at various distances from the interface. These computations indicate that strong thermodynamic and kinetic driving forces exist for the segregation of oxygen vacancies to the interface, providing for a mechanism for the subsequent formation of interfacial phases.",
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Diffusion of O vacancies near Si:Hf O2 interfaces : An ab initio investigation. / Tang, C.; Tuttle, Blair Richard; Ramprasad, R.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 76, No. 7, 073306, 13.08.2007.

Research output: Contribution to journalArticle

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