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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 Frauenheim² — ¹Tu 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 Θ_O = 0.375 ML.

On the nominally N terminated (0001) surface an oxygen

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