Point defects on the (110) surfaces of InP, InAs, and InSb : A comparison with bulk

• The basic properties of point defects, such as local geometries, positions of charge-transfer levels, and formation energies, have been calculated using density-functional theory, both in the bulk and on the (110) surface of InP, InAs, and InSb. Based on these results we discuss the electronic properties of bulk and surface defects, defect segregation, and compensation. In comparing the relative stability of the surface and bulk defects, it is found that the native defects generally have higher formation energies in the bulk. From this it can be concluded that at equilibrium there is a considerably larger fraction of defects at the surface and under nonequilibrium conditions defects are expected to segregate to the surface, given sufficient time. In most cases the charge state of a defect changes upon segregation, altering the charge-carrier concentrations. The photothresholds are also calculated for the three semiconductors and are found to be in good agreement with experimental data.

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Nyckelord

scanning-tunneling-microscopy

electronic-structure

semiconductor surfaces

phosphorus vacancy

low-temperatures

native defects

segregation

pseudopotentials

impurities

inp(110)

Physics

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