AVS 61st International Symposium & Exhibition
    Electronic Materials and Processing Monday Sessions
       Session EM+MI+NS-MoM

Paper EM+MI+NS-MoM3
Atomic and Electronic Structure of the Ferroelectric BaTiO3-Ge (001) Interface

Monday, November 10, 2014, 9:00 am, Room 314

Session: Complex Oxides and Their Interfaces
Presenter: Kurt Fredrickson, The University of Texas at Austin
Authors: K.D. Fredrickson, The University of Texas at Austin
P. Ponath, University of Texas at Austin
A.B. Posadas, University of Texas at Austin
M.R. McCartney, Arizona State University
T. Aoki, Arizona State University
D.J. Smith, Arizona State University
A.A. Demkov, University of Texas at Austin
Correspondent: Click to Email

In this study, we demonstrate the epitaxial growth of BaTiO3 on Ge(001) by molecular beam epitaxy using a thin Zintl template buffer layer. A combination of density functional theory, atomic-resolution electron microscopy and in situ photoemission spectroscopy is used to investigate the electronic properties and atomic structure of the BaTiO3/Ge interface. Aberration-corrected scanning transmission electron micrographs reveal that the Ge(001) 2x1 surface reconstruction remains intact during the subsequent BaTiO3 growth, thereby enabling a choice to be made between several theoretically predicted interface structures. The measured valence band offset of 2.7 eV matches well with the theoretical value of 2.5 eV based on the model structure for an in-plane-polarized interface. The agreement between the calculated and measured band offsets, which is highly sensitive to the detailed atomic arrangement, indicates that the most likely BaTiO3/Ge(001) interface structure has been identified.