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P-Terminated InP (001) Surfaces: Surface Band Bending and Reactivity to Water.

Dominik Christian Moritz1, Isaac Azahel Ruiz Alvarado2, Mohammad Amin Zare Pour3

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ACS Applied Materials & Interfaces
|October 9, 2022
PubMed
Summary

Surface defects on indium phosphide (InP) (001) surfaces cause Fermi level pinning and band bending. These defects, specifically phosphorus dangling bonds, are stable even when exposed to molecular water.

Keywords:
Fermi level pinningInPP-richband bendingdangling bond defectsurface reactivitywater adsorption

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Area of Science:

  • Surface science
  • Semiconductor physics
  • Materials chemistry

Background:

  • Stable indium phosphide (InP) (001) surfaces typically have fully occupied and empty surface states near band edges.
  • Observed Fermi level pinning and band bending suggest deviations from ideal surface behavior.

Purpose of the Study:

  • Investigate the origin of Fermi level pinning and band bending on InP (001) surfaces.
  • Characterize temperature-induced surface defects and their impact on InP (001) surface properties.
  • Examine the reactivity of these InP (001) surface defects with molecular water.

Main Methods:

  • Density functional theory (DFT) calculations to model surface defects.
  • Low-temperature water adsorption experiments.
  • Photoemission spectroscopy (PES) to analyze surface states and band bending.

Main Results:

  • Finite-temperature surface defects, specifically phosphorus dangling bonds, cause Fermi level pinning and band bending.
  • These hydrogen-related gap states are robust against molecular water adsorption if water does not dissociate.
  • Water dissociation is expected at steps, not terraces, leaving flat InP (001) surfaces unaffected.

Conclusions:

  • Surface defects, not ideal surface states, dictate InP (001) surface electronic properties.
  • Hydrogen-related defects on InP (001) surfaces are stable and do not significantly interact with non-dissociated water.
  • Surface band bending on flat InP (001) terraces is unaffected by water exposure.