TY - JOUR
T1 - Atomistic simulation study of controlled nanostructure patterning
AU - Lee, Byeongchan
AU - Cho, Kyeongjae
N1 - Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2003
Y1 - 2003
N2 - We investigate the surface kinetics of Pt using the extended embedded-atom method, an extension of the embedded-atom method with additional degrees of freedom to include the non-bulk data from lower-coordinated systems as well as the bulk properties. The surface energies of the clean Pt (111) and Pt (100) surfaces are found to be 0.13 eV and 0.147 eV respectively, in excellent agreement with experiment. The Pt on Pt (111) adatom diffusion barrier is found to be 0.38 eV and predicted to be strongly strain-dependent, indicating that, in the compressive domain, adatoms are unstable and the diffusion barrier is lower; the nucleation occurs in the tensile domain. In addition, the dissociation barrier from the dimer configuration is found to be 0.82 eV. Therefore, we expect that atoms, once coalesced, are unlikely to dissociate into single adatoms. This essentially tells that by changing the applied strain, we can control the patterning of nanostructures on the metal surface.
AB - We investigate the surface kinetics of Pt using the extended embedded-atom method, an extension of the embedded-atom method with additional degrees of freedom to include the non-bulk data from lower-coordinated systems as well as the bulk properties. The surface energies of the clean Pt (111) and Pt (100) surfaces are found to be 0.13 eV and 0.147 eV respectively, in excellent agreement with experiment. The Pt on Pt (111) adatom diffusion barrier is found to be 0.38 eV and predicted to be strongly strain-dependent, indicating that, in the compressive domain, adatoms are unstable and the diffusion barrier is lower; the nucleation occurs in the tensile domain. In addition, the dissociation barrier from the dimer configuration is found to be 0.82 eV. Therefore, we expect that atoms, once coalesced, are unlikely to dissociate into single adatoms. This essentially tells that by changing the applied strain, we can control the patterning of nanostructures on the metal surface.
UR - http://www.scopus.com/inward/record.url?scp=0347569217&partnerID=8YFLogxK
U2 - 10.1557/proc-775-p9.27
DO - 10.1557/proc-775-p9.27
M3 - Conference article
AN - SCOPUS:0347569217
SN - 0272-9172
VL - 775
SP - 287
EP - 292
JO - Materials Research Society Symposium Proceedings
JF - Materials Research Society Symposium Proceedings
T2 - Self-Assembled Nanostructured Materials
Y2 - 22 April 2003 through 25 April 2003
ER -