Berlin 2015 – scientific programme

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HL: Fachverband Halbleiterphysik

HL 81: Heterostructures and interfaces

HL 81.2: Talk

Thursday, March 19, 2015, 15:15–15:30, EW 201

Computer Simulation of Growth Kinetics of Compound Semiconductors — •Jan Oliver Oelerich and Sergei D. Baranovskii — Faculty of Physics and Material Sciences Center, Philipps-Universität Marburg

Growth of III/V semiconductor compounds on Si substrates is currently in the focus of experimental and theoretical research because of its promising applications in functionalization of semiconductors. While surface structures and properties of the grown materials are experimentally well accessible, little is known about the formation and structural characteristics of the interfaces between the Si substrate and the III/V semiconductor compound. To gain insight into the intermediate stages of epitaxial growth and the interface properties, we developed a Kinetic Monte Carlo (KMC) computer simulation package for the theoretical study of the kinetic characteristics of epitaxial growth. Two particular problems were addressed in the simulations. First, it was recently observed that growth of GaP on the Si-001 surface leads to significant intermixing of the two materials at their interface. In our simulation we were able to identify the driving forces of the intermixing and accurately reproduce the experimentally observed features. Second, melt-back etching of Ga droplets on the Si-001 surface was simulated. In a recent experimental study it was shown that deposition of Ga onto a Si substrate leads to formation of metallic Ga droplets, etching large, pyramidally shaped structures into the bulk Si. We can reproduce this behaviour in the simulation and thereby study intermediate stages of the etching during the Ga deposition.