Title of article :
Modified embedded atom method calculations for reconstructed (110) surfaces of face-centered cubic metals
Author/Authors :
Yamaghishi، نويسنده , , Takahiro and Takahashi، نويسنده , , Kunio and Onzawa، نويسنده , , Tadao، نويسنده ,
Issue Information :
هفته نامه با شماره پیاپی سال 2000
Pages :
5
From page :
18
To page :
22
Abstract :
A modified embedded atom method (MEAM) potential is applied (110) surfaces of several face-centered cubic metals. Surface energies of Au, Pt, and Pb are calculated for the ideal (110) structure, the missing row structure, and the missing column structure, where the last structure is defined in the present paper. The energies calculated for the three structures are discussed with the experimental results obtained from low energy electron diffraction. The MEAM calculations suggest that the missing row structure is most stable for Au and Pt, the ideal structure is most stable for Pb, and the missing column structure is unstable for all cases. These trends show a good agreement with the experimental facts. The position of surface atoms is compared with experimental results. They are in fairly good agreement with each other.
Keywords :
computer simulations , Gold , Lead , Platinum , Semi-empirical models and model calculations , surface energy , Surface relaxation and reconstruction , morphology , roughness and topography , surface structure
Journal title :
Surface Science
Serial Year :
2000
Journal title :
Surface Science
Record number :
1687543
Link To Document :
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