Journal article
Atomic structure of screw dislocations intersecting the Au(111) surface: A combined scanning tunneling microscopy and molecular dynamics study
Department of Physics, Technical University of Denmark1
Surface Physics and Catalysis, Department of Physics, Technical University of Denmark2
Center for Atomic-scale Materials Physics, Centers, Technical University of Denmark3
Computational Atomic-scale Materials Design, Department of Physics, Technical University of Denmark4
Center for Individual Nanoparticle Functionality, Centers, Technical University of Denmark5
Center for Nanoteknologi, Centers, Technical University of Denmark6
The atomic-scale structure of naturally occurring screw dislocations intersecting a Au(111) surface has been investigated both experimentally by scanning tunneling microscopy (STM) and theoretically using molecular dynamics (MD) simulations. The step profiles of 166 dislocations were measured using STM.
Many of them exhibit noninteger step-height plateaus with different widths. Clear evidence was found for the existence of two different populations at the surface with distinct (narrowed or widened) partial-splitting widths. All findings are fully confirmed by the MD simulations. The MD simulations extend the STM-, i.e., surface-, investigation to the subsurface region.
Due to this additional insight, we can explain the different partial-splitting widths as the result of the interaction between the partial dislocations and the surface.
| Language: | English |
|---|---|
| Year: | 2006 |
| ISSN: | 1550235x , 10980121 and 01631829 |
| Types: | Journal article |
| DOI: | 10.1103/PhysRevB.74.195434 |
| ORCIDs: | Schiøtz, Jakob and Horch, Sebastian |
