Regensburg 2016 – wissenschaftliches Programm

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HL: Fachverband Halbleiterphysik

HL 83: Focus Session: Functionalization of Semiconductors II

HL 83.5: Vortrag

Donnerstag, 10. März 2016, 16:45–17:00, H16

Ab initio study on precursor reactivity in CVD growth: GaP on Si — •Andreas Stegmüller and Ralf Tonner — Fachbreiech Chemie, Philipps-Universität, 35032 Marburg

Successful growth of high-qualtiy III/V semiconductor materials via CVD or MOVPE is (kinetically) constrained by precursor decomposition chemistry and transport.[1] As in situ experimental evidence is scarce DFT calculations were applied being an important means to grasp elementary processes during growth.

The molecular reactivity of commonly applied precursors triethylgallane (TEGa), tertiary butylphosphine (TBP) and higher homologues was screened and fundamental mechanisms were elucidated.[2,3] The insight gained can be utilized to optimize the decomposition behaviour by chemical design in order to reduce energy barriers and, thus, growth temperatures necessary for growth of metastable materials.[4] The influence of the Si substrate on precursor decomposition was investigated for various alkyl compounds of groups 13 and 15 (III/V) applying periodic models of the hydrogen-passivated Si(001)H surface.

[1] A. Brauers, J. Cryst. Growth, 107, 281-289, 1991.

[2] Andreas Stegmüller et al., Phys. Chem. Chem. Phys., 16, 17018-17029, 2014.

[3] Andreas Stegmüller et al., Inorg. Chem., 54, 6363-6372, 2015.

[4] Andreas Stegmüller et al., Chem. Vap. Depos., 21, 161-165, 2015.