Valence-mending passivation of Si(100) surface: Principle, practice and application

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Scopus citations


Surface states have hindered and degraded many semiconductor devices since the Bardeen era. Surface states originate from dangling bonds on the surface. This paper discusses a generic solution to surface states, i.e. valence-mending passivation. For the Si(100) surface, a single atomic layer of valence-mending sulfur, selenium or tellurium can terminate ~99% of the dangling bonds, while group VII fluorine or chlorine can terminate the remaining 1%. Valence-mending passivation of Si(100) has been demonstrated using CVD, MBE and solution passivation. The keys to valence-mending passivation include an atomically-clean Si(100) surface for passivation and precisely one monolayer of valence-mending atoms on the surface. The passivated surface exhibits unprecedented properties. Electronically the Schottky barrier height between various metals and valence-mended Si(100) now follows more closely the Mott-Schottky theory. With metals of extreme workfunctions, new records for low and high Schottky barriers are created on Si(100). The highest barrier so far is 1.14 eV, i.e. a larger-than-bandgap barrier, and the lowest barrier is below 0.08 eV and potentially negative. Chemically silicidation between metal and valence-mended Si(100) is suppressed up to 500˚C, and the thermally-stable record Schottky barriers enable theirapplications in nanoelectronic, optoelectronic and photovoltaic devices. Another application is transition metal dichalcogenides. Valence-mended Si(100) is an ideal starting surface for growth of dichalcogenides, as it provides only van der Waals bonding to the dichalcogenide.

Original languageEnglish (US)
Title of host publicationGettering and Defect Engineering in Semiconductor Technology XVI
EditorsPeter Pichler, Peter Pichler
PublisherTrans Tech Publications Ltd
Number of pages10
ISBN (Print)9783038356080
StatePublished - 2016
Event16th International Conference on Gettering and Defect Engineering in Semiconductor Technology, GADEST 2015 - Bad Staffelstein, Germany
Duration: Sep 20 2015Sep 25 2015

Publication series

NameSolid State Phenomena
ISSN (Print)1012-0394
ISSN (Electronic)1662-9779


Other16th International Conference on Gettering and Defect Engineering in Semiconductor Technology, GADEST 2015
CityBad Staffelstein


  • Dangling bond
  • Metal silicon junction
  • Passivation
  • Schottky barrier
  • Selenium
  • Silicon (100) surface
  • Sulfur
  • Surface state
  • Transition metal dichalcogenide

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • General Materials Science
  • Condensed Matter Physics


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