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 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 ΘO = 0.375 ML.
On the nominally N terminated (0001) surface an oxygen
coverage as high as ΘO = 0.75 ML can be reached.