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Münster 1999 – scientific programme

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HL: Halbleiterphysik

HL 40: GaN III

HL 40.6: Talk

Friday, March 26, 1999, 10:45–11:00, H2

A THEORETICAL STUDY OF O CHEMISORPTION ON GAN (0001)/(000-1) SURFACES — •Joachim Elsner1, Michael Haugk2, Rafael Gutierrez1, and Thomas Frauenheim21Tu Chemnitz, Institut für theoret. Physik III, 09107 Chemnitz — 2Universität GH Paderborn, Fb. 6, 33098 Paderborn

We prWe present a theoretical study of atomic structures

and formation energies for a variety of possible oxygen induced

reconstructions of the GaN (0001) and (0001) surfaces.

We find that all stable surfaces have Ga–O bonds.

Saturation of oxygen at the nominally Ga terminated (0001)

surface occurs at a coverage of ΘO = 0.375 ML.

On the nominally N terminated (0001) surface an oxygen

coverage as high as ΘO = 0.75 ML can be reached.

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