Surface diffusion coefficient determination by uniaxial tensile strain in Pb/Cu(111) surface systems
- Authors
- Choi, Heechae; Lee, Eung-Kwan; Chung, Yong-Chae
- Issue Date
- May-2011
- Publisher
- ELSEVIER
- Keywords
- Pb/Cu(111); Surface diffusion; Strain; Density functional theory; Molecular dynamics
- Citation
- CURRENT APPLIED PHYSICS, v.11, no.3, pp.S400 - S403
- Indexed
- SCIE
SCOPUS
- Journal Title
- CURRENT APPLIED PHYSICS
- Volume
- 11
- Number
- 3
- Start Page
- S400
- End Page
- S403
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/168565
- DOI
- 10.1016/j.cap.2011.03.009
- ISSN
- 1567-1739
- Abstract
- Atomic-scale investigations on the surface diffusions of Pb adatoms on uniaxially strained Cu(111) were performed using molecular dynamics simulations and ab initio calculations methods. Tensile strains in [1 (1) over bar0] reduced the surface diffusion coefficient, while the [112] strains increased the diffusion coefficient until the Cu(111) substrate was elongated 4% uniaxially. The surface diffusion energy barriers for the three different paths: [1 (1) over bar0], [112] and [2 (1) over bar1], were calculated using ab initio calculations. The energy barrier only for the [1 (1) over bar0] direction was increased when tensile strain in the [1 (1) over bar0] direction was applied, while the [112] strain decreased the energy barriers for all three diffusion paths. The [1 (1) over bar0] strain altered the easy surface diffusion direction from the x-direction to the y-direction, while the [2 (1) over bar1] strain created isotropic diffusion coefficients in lateral directions.
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