Self-diffusion of small clusters on fcc metal (111) surfaces
- Citation:
- Chang, C. M., Wei C. M., & Chen S. P. (2000). Self-diffusion of small clusters on fcc metal (111) surfaces. Physical Review Letters. 85, 1044-1047., Jul, Number 5
Abstract:
We use ab initio density-functional theory supplemented with the embedded-atom method to study the self-diffusion of small clusters on the (111) surface of eight fee metals. A zigzag motion is found to be important in the dimer and tetramer diffusions. The dimer diffuses by a zigzag and concerted motion. The trimer diffuses by a concerted three-atom motion. The tetramer diffuses through a zigzag motion where only two atoms move simultaneously in each step. Thus, instead of increasing, the migration energy is lowered (or stays constant) for the tetramer as compared to that for the trimer. This novel break of the upwards trend in migration energy is predicted to be a general phenomenon.
Notes:
ISI Document Delivery No.: 339BDTimes Cited: 41Cited Reference Count: 19Cited References: Bogicevic A, 1998, PHYS REV LETT, V81, P172, DOI 10.1103/PhysRevLett.81.172 CHANG C, IN PRESS Chang CM, 1996, PHYS REV B, V54, P17083, DOI 10.1103/PhysRevB.54.17083 DAW MS, 1984, PHYS REV B, V29, P6443, DOI 10.1103/PhysRevB.29.6443 KELLOGG GL, 1994, PHYS REV LETT, V73, P1833, DOI 10.1103/PhysRevLett.73.1833 KELLOGG GL, 1994, SURF SCI REP, V21, P1, DOI 10.1016/0167-5729(94)90007-8 KOHN W, 1965, PHYS REV, V140, P1133 KRESSE G, 1993, PHYS REV B, V47, P558, DOI 10.1103/PhysRevB.47.558 KRESSE G, 1994, PHYS REV B, V49, P14251, DOI 10.1103/PhysRevB.49.14251 LIU CL, 1991, SURF SCI, V253, P334, DOI 10.1016/0039-6028(91)90604-Q LIU CL, 1992, SURF SCI, V268, P73, DOI 10.1016/0039-6028(92)90951-2 PERDEW JP, 1981, PHYS REV B, V23, P5048, DOI 10.1103/PhysRevB.23.5048 PICKETT WE, 1989, COMPUT PHYS REP, V9, P115, DOI 10.1016/0167-7977(89)90002-6 Shi ZP, 1996, PHYS REV LETT, V76, P4927, DOI 10.1103/PhysRevLett.76.4927 Stumpf R, 1996, PHYS REV B, V53, P4958, DOI 10.1103/PhysRevB.53.4958 TRINGIDES MC, 1997, SURFACE DIFFUSION AT Voter AF, 1987, MATER RES SOC S P, V82, P175 WANG SC, 1990, SURF SCI, V239, P301, DOI 10.1016/0039-6028(90)90232-W ZANGWILL A, 1988, PHYSICS SURFACESChang, CM Wei, CM Chen, SPAMERICAN PHYSICAL SOCCOLLEGE PK
