Open AccessPOSSIBILITY OF FACETING TRANSFORMATION OF Mo AND W FROM (111) TO {110} INDUCED BY ULTRATHIN FILM Rh
Author(s) -
Huang Dan-Yun,
Jingguang Che,
Kaiming Zhang
Publication year - 1999
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.48.1904
Subject(s) - faceting , facet (psychology) , materials science , monolayer , condensed matter physics , molecular physics , nanotechnology , chemistry , physics , psychology , social psychology , personality , big five personality traits
Using first principles total energy calculations,the surface energies of Mo and W before and af-ter adsorbing Rh thin films in [111] and [110] orientations are calculated.The calculation results indicate that clean (111) surfaces of both Mo and W cannot transform to {110} facets,in agreement with experimental observations.When the coverage of Rh arrives at one physical monolayer,Rh/Mo(111) still cannot facet to {110},while under a favorable energy condition for the transforma-tion,Rh/W(111) may facet to {110}.