Modeling and characterization of atomically sharp "perfect" Ge/SiC2 interfaces

Wolfgang Windl*, Tao Liang, Sergei Lopatin, Gerd Duscher

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

12 Scopus citations


We have shown that oxidation of germanium-implanted Si can produce a pile-up of Ge in front of the oxidation front and produce an atomically-sharp interface. In this paper, we examine band-structure and processing of such an interface. Based on ab-initio calculations, the band structure of the sharp interface seems to be more favorable for use in electronic devices than the usually diffuse interface in Si/SiC2. Furthermore, we propose an ab-initio based Monte-Carlo model to simulate oxidation of SiGe alloys. The model explains the formation of the sharp interface due to the repulsive interaction between O and Ge. Furthermore, inclusion of Ge into the oxide is predicted for higher Ge concentrations, in agreement with experiment.

Original languageEnglish (US)
Pages (from-to)156-161
Number of pages6
JournalMaterials Science and Engineering B: Solid-State Materials for Advanced Technology
Issue numberSPEC. ISS.
StatePublished - Dec 15 2004
Externally publishedYes

Bibliographical note

Funding Information:
This work was funded by the Semiconductor Research Corporation under contract number 2002-MJ-1018, the National Science Foundation under contract number 0244724, and the U.S. Department of Energy under contract number DE-AC05-00OR22725. We also thank the Ohio Supercomputer Center for supercomputer time under project number PAS0072.


  • Ab-initio calculations
  • Ge/SiO interfaces
  • Oxidation

ASJC Scopus subject areas

  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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