title: Identifying defects in nanoscale materials.
abstract: We have developed a novel iterative experimental-theoretical technique which can identify the atomic structure of defects in many-atom nanoscale materials from scanning tunneling microscopy and spectroscopy data. A given model for a defect structure is iteratively improved until calculated microscopy and spectroscopy data based on the model converge on the experimental results. We use the technique to identify a defect responsible for the electronic properties of a carbon nanotube intramolecular junction. Our technique can be extended for analysis of defect structures in nanoscale materials in general.
authors.affiliation: Department of Physics, University of California at Berkeley, Berkeley, California 94720, USA.
authors.forename: Masa
authors.initials: M
authors.lastname: Ishigami
authors.forename: Hyoung Joon
authors.initials: HJ
authors.lastname: Choi
authors.forename: Shaul
authors.initials: S
authors.lastname: Aloni
authors.forename: Steven G
authors.initials: SG
authors.lastname: Louie
authors.forename: Marvin L
authors.initials: ML
authors.lastname: Cohen
authors.forename: A
authors.initials: A
authors.lastname: Zettl