title: Point defect configurations of supersaturated Au atoms inside Si nanowires.
abstract: Aberration-corrected scanning transmission electron microscopy (STEM) is used to reveal individual Au atom configurations inside Si nanowires grown by Au-catalyzed vapor-liquid-solid (VLS) molecular beam epitaxy (MBE). We identify a substitutional and three distinct interstitial configurations, one of which has not been previously identified. We confirm the stability of the observed point defect configurations by density functional theory (DFT) calculations. The observed number densities of the various configurations are in accord with their calculated formation energies. The concentration of Au atoms is larger than the solubility limit, but the effect may be caused by the STEM beam.
authors.affiliation: Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA. shoh@kbsi.re.kr
authors.forename: Sang Ho
authors.initials: SH
authors.lastname: Oh
authors.forename: Klaus
authors.initials: K
authors.lastname: van Benthem
authors.forename: Sergio I
authors.initials: SI
authors.lastname: Molina
authors.forename: Albina Y
authors.initials: AY
authors.lastname: Borisevich
authors.forename: Weidong
authors.initials: W
authors.lastname: Luo
authors.forename: Peter
authors.initials: P
authors.lastname: Werner
authors.forename: Nikolai D
authors.initials: ND
authors.lastname: Zakharov
authors.forename: Dhananjay
authors.initials: D
authors.lastname: Kumar
authors.forename: Sokrates T
authors.initials: ST
authors.lastname: Pantelides
authors.forename: Stephen J
authors.initials: SJ
authors.lastname: Pennycook