AVS 58th Annual International Symposium and Exhibition
    Thin Film Division Thursday Sessions
       Session TF2-ThM

Paper TF2-ThM11
Controlling Heteroepitaxy through Surfactant-Enabled Growth: An Ab Initio Thermodynamics Study

Thursday, November 3, 2011, 11:20 am, Room 110

Session: Modeling and Analysis of Thin Films
Presenter: D.L. Irving, North Carolina State University
Authors: B.E. Gaddy, North Carolina State University
E.A. Paisley, North Carolina State University
M.D. Losego, North Carolina State University
J.S. Tweedie, North Carolina State University
R. Collazo, North Carolina State Univeristy
Z. Sitar, North Carolina State University
D.L. Irving, North Carolina State University
J.-P. Maria, North Carolina State University
Correspondent: Click to Email

We demonstrate that surfactant-assisted epitaxy is a useful method for stabilizing the growth of {111} CaO films on (0001) GaN. Surface free energies, calculated by ab initio thermodynamics, for configurations of CaO surfaces with varying surfactant coverage will be presented. These results explain the recent experimental observation that incorporating water vapor during CaO deposition produces a hydroxylated surface. Hydroxylation changes the preferred habit of CaO from (001) to (111), which enables layer-by-layer growth of (111) CaO on (0001) GaN. Together with experiment, these results demonstrate a new approach, applicable to numerous materials systems, where chemical boundary conditions are engineered to regulate the growth mode. Unique opportunities to integrate highly heterogeneous materials of dissimilar structure and symmetry are consequently available.