Berlin 2012 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
HL: Fachverband Halbleiterphysik
HL 92: Poster Session: II-VI Semiconductors & ZnO and related Materials
HL 92.22: Poster
Donnerstag, 29. März 2012, 16:00–19:00, Poster D
Structural parameters of ZnMgO from first principles and experiment — •Marcel Giar1, Thomas Wassner2, Bernhard Laumer1,2, Martin Eickhoff1, and Christian Heiliger1 — 1I. Physikalisches Institut, Justus-Liebig-Universität, D-35392 Giessen — 2Walter Schottky Institut, Technische Universität München, Am Coulombwall 3, D-85748 Garching
Recent experimental research on the evolution of the lattice parameters of wurtzite ZnMgO alloys with Mg content x show that due to relaxation processes the lattice parameter a strongly depends on the film thickness. For layers with a thickness of about 300 nm grown by molecular beam epitaxy a is found to be independent of x [1] whereas for a thickness of 1 µm we find an increase in a with increasing x. We conduct cell relaxation calculations keeping the lattice parameter a fixed in the basal plane as well as complete cell relaxations and we determine the resulting a lattice parameters from an a-plane-growth modeling. All calculations are based on the LDA and a supercell approach in combination with alloy statistics to consider different alloy configurations inside the supercell.
[1] T. A. Wassner, B. Laumer, S. Maier, A. Laufer, B. K. Meyer, M. Stutzmann, M. Eickhoff, J. Appl. Phys. 105, 023505 (2009)
[2] M. Heinemann, M. Giar, C. Heiliger, Mater. Res. Soc. Symp. Proc. 1201, H05-33 (2010)