Diffusion of Cu adatoms and dimers on Cu(111) and Ag(111) surfaces

Mińkowski, Marcin; Załuska‐Kotur, Magdalena A.

doi:10.1016/j.susc.2015.07.026

Cited by 14 publications

(13 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Additionally, this value is extremely small compared with the other homogeneous systems. Likewise, for Ag/Ag(111), the static barrier is found to be 0.06 eV for both displacements, which is again in excellent agreement with those existing in Boisvert and Lewis, Kallinteris et al ., Shiang, Minkowski and zaluska‐Kotur, and Ferrando and Tréglia . However, in the case of Au/Au(111) system, we note a slight difference in the value of E a between the two displacements: 0.021 eV from a fcc site to a hcp site, and 0.023 eV from a hcp site to a fcc site.…”

Section: Resultssupporting

confidence: 90%

“…From this table, it turns out that, our findings are in reasonable agreement with the available data for the three systems. By analyzing our results, we remark that for Cu/Cu(111) system, the activation energy is close to 0.03 eV for both displacements of the adatom (From fcc to hcp site and inversely), which is in good agreement with that found in Marinica et al ., Karim et al ., Kallinteris et al ., Shiang, Minkowski and zaluska‐Kotur . Additionally, this value is extremely small compared with the other homogeneous systems.…”

Section: Resultssupporting

confidence: 90%

“…In the light of these results, it is assumed that Ag–Au, Cu–Ag, and Au–Ag interactions are stronger than Ag–Cu, Cu–Au, and Au–Cu, respectively. Unfortunately, theoretical results are available only for Cu/Ag(111) system . Noting that our value is consistent with this theoretical calculation.…”

Section: Resultssupporting

confidence: 83%

See 2 more Smart Citations

Static investigation of adsorption and hetero‐diffusion of copper, silver, and gold adatoms on the (111) surface

Kotri

koraychy

Mazroui

et al. 2017

Surface & Interface Analysis

View full text Add to dashboard Cite

In this work, we have used the static molecular simulations combined with an interatomic potential derived from the embeddedatom method to study the adsorption and hetero-diffusion on the (111) surface of Cu, Ag, and Au adatoms by using LAMMPS code. The investigation is performed for six heterogeneous systems such as Ag/Au(111), Ag/Cu(111), Au/Ag(111), Au/Cu(111), Cu/Ag(111), and Cu/Au(111). First, we have investigated the relaxation trends and the bond lengths of the atoms in the systems. The calculation results show that, the top layer spacing between the first and second layers of the Au(111), Ag(111), and Cu (111) substrates is contracted. This contraction is found to be more important in the Au(111) substrate. On the other hand, the strong reduction of the binding length is found in Au/Cu(111) for the different adsorption sites. In addition, the binding, adsorption, and static activation energies for all studied systems were examined. The results indicated that the binding and adsorption energies reached their maximum values in the Au/Cu(111) and Au/Ag(111) systems, respectively. Moreover, the static activation barriers for hopping diffusion on the (111) surfaces are found to be low compared with those found in the (100) and (110) surfaces. Therefore, our calculations showed that the difference in energy between the hcp and fcc sites on the (111) surfaces is very small.

show abstract

Section: Resultssupporting

confidence: 90%

Section: Resultssupporting

confidence: 90%

See 1 more Smart Citation

Static investigation of adsorption and hetero‐diffusion of copper, silver, and gold adatoms on the (111) surface

Kotri

koraychy

Mazroui

et al. 2017

Surface & Interface Analysis

View full text Add to dashboard Cite

show abstract

“…The dimer even rotates in the vicinity of a single surface cell making it a complex diffusion process. The slight differences in the lattice constants also affect the diffusivities of the adatoms clusters hence hetero‐diffusion is relatively shown higher mobility . Heteroepitaxial diffusion of Cu, Pd, and Cu on Cu (001) shows the dominant diffusion mechanism of adatom is the simple hopping with a frequency different for all adatoms…”

Section: Introductionmentioning

confidence: 99%

A study of surface diffusion of ternary (Cu‐Ag‐Zr) adatoms clusters for applications in thin film formation

Imran¹,

Hussain

Hayat

et al. 2019

Surface & Interface Analysis

View full text Add to dashboard Cite

This study presents the diffusion of heterogeneous ternary (Cu-Ag-Zr) adatoms clusters on Ag(111) using molecular dynamics techniques which could be important for the surface phenomena's and helpful for the ternary cluster's growth and formation of ternary alloy-based thin films. The mechanism of nanoscale surface diffusion is investigated for 1Cu-1Ag-1Zr, 2Cu-2Ag-2Zr, 3Cu-3Ag-3Zr, and 4Cu-4Ag-4Zr clusters at temperatures 300, 500, and 700 K. The diffusion mechanism displays that the diffusion of trimer cluster exhibits hopping, sliding, and shearing at 300 K, whereas for hexamer, nonamer, and decamer, the diffusion rate is low; however, breathing, anchoring, and concentrated motion dominates. At 500 K, trimer and hexamer show the process of atomic exchange; however, the atomic exchange is not observed in the case of nonamer and decamer diffusion. The atomic exchange mechanism of Cu and Zr adatoms dominates at 700 K for all size clusters, except Ag adatoms, where Zr adatoms show a relatively more tendency. Separation and rejoining of the one and two adatoms (likely Zr adatom) are also witnessed at high temperature. The pop-up of Ag adatoms also occurs in very short intervals over the remaining adatoms of clusters. Interestingly, during trimer diffusion, the adsorption of the Zr-or Cuadatom among the trimer cluster into the substitutional site is found. At 700 K, vacancy generation, filling of vacancies, and migration of vacancy, in the neighborhood of the adatoms cluster, also observed. Moreover, the rate of diffusion decreases with the size increase of the clusters and increases with the increase in temperature.

show abstract

“…To name a few, a cluster may diffuse via peripheral, leapfrog movement, gliding or shearing. The activation energies associated to each diffusion mechanism can differ considerably, since each of the atomic structures bond to the surface in a particular way, and as a consequence temperature dictates which mechanisms govern diffusion [66][67][68]. For metal clusters on graphite at room temperature, diffusion proceeds in two distinct regimes [61].…”

Section: Cluster Diffusionmentioning

confidence: 99%