Growth of Co nanostructures on Cu(110): Atomic-scale simulations

Stepanyuk, O. V.; Negulyaev, N. N.; Saletsky, A. M.; Hergert, W.

doi:10.1103/physrevb.78.113406

Cited by 21 publications

(14 citation statements)

References 33 publications

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“…For diffusion via the exchange mechanism (process (g)), we found that the activation energy (0.42 eV) is higher than via the jump process, which is in good agreement with the analysis in Section . We note also a good agreement between the activation energy of process (d) calculated by our method and the nudged elastic band (NEB) method .…”

Section: Resultssupporting

confidence: 67%

“…In this way, our EAM results are compared to other results (see Table ), obtained by the Rosato–Guillope–Legrand model (RGL) , effective medium (EM) , corrective effective medium (CEM) , embedded atom in the Adams–Foiles–Wolfer parameterization (AFW) , the Voter–Chem parameterization (EA(VC)) , the anisotropic broken band model (ABBM) , and molecular static (MS) calculations . In this later reference, the authors have used the nudged elastic band (NEB) method in order to calculate the activation energy of each process .…”

Section: Resultsmentioning

confidence: 99%

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Long jumps contribution to the adatom diffusion process near the step edge: The case of Ag/Cu(110)

Sbiaai

Boughaleb

Kara

et al. 2013

Phys. Status Solidi B

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In this work, the diffusion of a single Ag adatom on a low‐index Cu surface (110) in the presence of a step edge is studied using the embedded‐atom method (EAM). Molecular static simulation is carried out in order to calculate the activation energy of different diffusion processes. Our findings are in a good agreement with results existing in the literature indicating that adatom diffusion via jump process is more favored than the other mechanisms. The activation energy corresponding to diffusing via hopping is found to be 0.25 eV (at 0 K). On the other hand, the activation barrier calculated by molecular dynamics (MD) simulation for a large range of temperature (310–500 K) is found to be around 0.25 eV for both upper and lower position leading to a good agreement between static and dynamic calculations. The prefactor for Ag adatom self‐diffusion via hopping on Cu(110) surface near the step edge is examined. The results show that the prefactors are 2.7 and 3.6 × 104 cm2 s−1 for the upper and lower position, respectively. This is in line with the value of 10−3 cm2 s−1 that is generally adopted. We also found that long jumps occur frequently in this system and their contribution cannot be neglected.

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Section: Resultssupporting

confidence: 67%

Section: Resultsmentioning

confidence: 99%

Long jumps contribution to the adatom diffusion process near the step edge: The case of Ag/Cu(110)

Sbiaai

Boughaleb

Kara

et al. 2013

Phys. Status Solidi B

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“…The kMC model was developed by Voter and co-workers 32,33 and was used in several recent studies. 4,12,[34][35][36] According to this approach the frequency i of the vacancy transition is calculated as…”

Section: Methodsmentioning

confidence: 99%

“…In the recent works magnetic properties of Co nanorods grown on Cu͑110͒ surface 11 and epitaxial growth of Co islands were explained. 12 Moreover nanostructures can be built up from single atoms on the surface of metal with a scanning tunnel microscope ͑STM͒ tip, 13,14 but with increasing temperature adatoms and small nanostructures would become unstable due to the thermally enhanced surface diffusion. On the other hand, the stability of many embedded structures is qualitatively understandable.…”

Section: Introductionmentioning

confidence: 99%

Atomic-scale self-organization of Co nanostructures embedded into Cu(100)

2009

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Formation of constrained nanostructures from Co atoms embedded within a Cu͑100͒ surface is investigated on the atomic scale by performing molecular-dynamics and kinetic Monte-Carlo simulations. The atomic processes responsible for the linear and angular chain formations are identified. We demonstrate the key role of substrate vacancies in the motion of embedded Co atoms and investigate the self-organization of Co atoms in different conditions.

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“…As a rule, these experimental investigations have been performed at room temperature (RT) or close to it 69. Theoretical calculations demonstrate that deposited species can exchange with surface atoms on a (110) surface with reasonably low activation barriers, which are operative at such temperatures 72–74. This hints that atomic intermixing can play a crucial role in the interface formation during heteroepitaxy on fcc (110).…”

Section: Introductionmentioning

confidence: 99%

Kinetic Monte Carlo study of self‐organization of low‐dimensional nanostructures on fcc (110) surfaces

Negulyaev¹,

Stepanyuk²,

Niebergall³

et al. 2010

Physica Status Solidi (b)

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Performing large-scale atomic simulations by means of kinetic Monte Carlo method we study room temperature selforganization of 3d magnetic atoms (Fe, Co) on fcc (110) surfaces (Pd(110), Cu(110)) in the sub-monolayer regime. The energetics of various diffusion processes relevant for these systems is investigated based on first principles calculations. We reveal that surface-confined atomic intermixing plays a significant role in the formation of nanostructures. Our results lead to the conclusion that the deposited species (Fe, Co) are captured into the topmost surface layer, while the ad-layer structure consists mainly of the expelled substrate atoms (Pd, Cu). Our studies shed a light on recent experimental investigations on the metal-on-metal growth on fcc (110) surfaces.

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Growth of Co nanostructures on Cu(110): Atomic-scale simulations

Cited by 21 publications

References 33 publications

Long jumps contribution to the adatom diffusion process near the step edge: The case of Ag/Cu(110)

Long jumps contribution to the adatom diffusion process near the step edge: The case of Ag/Cu(110)

Atomic-scale self-organization of Co nanostructures embedded into Cu(100)

Kinetic Monte Carlo study of self‐organization of low‐dimensional nanostructures on fcc (110) surfaces

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