Dilute Cu nanostructure stabilized by substrate-mediated interactions on<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>Cu</mml:mi><mml:mo>(</mml:mo><mml:mn>111</mml:mn><mml:mo>)</mml:mo></mml:mrow></mml:math>: Kinetic Monte Carlo simulations

Rogowska, J.M.; Maciejewski, Mieczysław

doi:10.1103/physrevb.74.235402

Cited by 12 publications

(9 citation statements)

References 24 publications

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“…Kinetics of Fe adatoms on a Cu͑111͒ surface at low temperature is investigated by means of the kMC method, 76 intensively applied in recent studies. 13,39,41,42,[77][78][79][80][81] We consider two different approaches to the calculation of activation barriers in the kMC simulations. Within the first approach, strain relaxations originated at the substrate around Fe adatoms and small close-packed Fe clusters are not involved.…”

Section: Topographic Observations and Theoretical Modelmentioning

confidence: 99%

“…The hop rate of an Fe adatom from site k to site j is calculated within the ratio v k→j = v 0 exp͑−E k→j / k B T͒, where T is the substrate temperature, v 0 is the attempt frequency ͑which is considered to be 9 ϫ 10 11 Hz͒, and k B is the Boltzmann factor. The hopping barrier for the atomic diffusion takes the following form: 13,42,[78][79][80][81]…”

Section: Topographic Observations and Theoretical Modelmentioning

confidence: 99%

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Effect of strain relaxations on heteroepitaxial metal-on-metal island nucleation and superlattice formation: Fe on Cu(111)

et al. 2009

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Recent theoretical and experimental studies indicate that strain relaxations induced at a substrate can substantially affect the shape of nanostructures during thin-film epitaxy. We reveal the influence of strain relaxations on the self-ordering of Fe adatoms on Cu͑111͒ during low-temperature submonolayer deposition by complementary experimental and theoretical investigations. Combining kinetic Monte Carlo and firstprinciples density-functional theory calculations, we study the interplay between surface nanostructuring and strain relaxations at the Cu substrate. The comparison of our theoretical results with scanning tunneling microscopy observations reveals marked effects on the adatom nucleation because of the substrate strain relief. The modified energy landscape around Fe adatoms and small close-packed Fe clusters at short distances ͑Ͻ6 Å͒ opens up a slippage motion channel mediating the formation of iron dimers and compact aggregates.

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Section: Topographic Observations and Theoretical Modelmentioning

confidence: 99%

Section: Topographic Observations and Theoretical Modelmentioning

confidence: 99%

Effect of strain relaxations on heteroepitaxial metal-on-metal island nucleation and superlattice formation: Fe on Cu(111)

et al. 2009

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“…The second, E SS , reflects the impact of the surface state‐mediated interaction on the hopping barrier and can be written as $E_{{\rm SS}} = (E_{{\beta} }^{{\rm SS}} {\hbox{-}} E_{{\alpha} }^{{\rm SS}} )/2$ , where $E_{{\alpha} }^{{\rm SS}} $ and $E_{{\beta} }^{{\rm SS}} $ are energies of the surface‐state mediated interaction with other surface imperfections calculated for the adatom situated at hollow sites α and β , respectively. Such approximation has been verified in a number of recent studies 91, 93, 95–104. The small variation E SS of the hopping barrier E D becomes crucial at low temperatures (1–10 K) and can effectively govern the atomic diffusion.…”

Section: Quantum Resonatorsmentioning

confidence: 66%

Electronic structure and magnetism of monatomic one‐dimensional metal nanostructures on metal surfaces

Ignatiev

Negulyaev

Niebergall

et al. 2010

Physica Status Solidi (b)

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We report on theoretical studies of one-dimensional (1D) monatomic metal nanostructures coupled to metal substrates, which support surface states. The aim of the work is to demonstrate general features of electronic structure, magnetic properties, and interactions in such systems. We start from simple finite monatomic chains. It is shown that electronic confinement in 1D metallic chains can be observed at energies of projected band gaps of a metallic substrate. At other energies the confinement is significantly suppressed by scattering of chain states into the metallic substrate. Although this scattering decreases the exchange interaction between magnetic atoms incorporated into the chain, we show that it is still possible to get a significant enhancement of the exchange interaction in short chains. The next problem addressed in the paper is related to the interaction of the surface state with ad-chains and 1D resonators. Special attention is paid to a possible impact of confinement in 1D resonators on atomic diffusion and selforganization inside them. Finally, we illustrate the theoretical approach for the treatment of magnetization dynamics in 1D nanostructures.

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“…The dilute nanostructures have been observed experimentally [3][4][5][6][7][8][9][10] and modeled by kinetic Monte Carlo ͑KMC͒ simulations. [9][10][11][12][13][14][15][16][17][18] The nanostructures may be divided into two classes: ͑i͒ 2D superlattices with the long-range hexagonal order as Ce on Ag͑111͒, 6,7,11 and on Cu͑111͒, 9 ͑ii͒ 2D dilute islands with the weak local hexagonal order as Co, 5 Cu, [3][4][5]12 and Fe, 10,14 on the Cu͑111͒ surface, as well as Co ͑Ref. 5͒ on the Ag͑111͒ surface.…”

Section: Introductionmentioning

confidence: 99%

“…Besides 2D nanostructures, at a very low adatom coverage ͑about 0.002-0.005 monolayer ͑ML͒, adatoms have tendency to form dilute linear chains. [6][7][8][12][13][14] The dilute islands are observed at a coverage of about 30% lower than the saturation coverage, i.e., coverage sufficient to form a perfectly ordered superlattice made up only of monomers. The saturated coverage is equal to 0.01 ML for Ag͑111͒ ͑Refs.…”

Section: Introductionmentioning

confidence: 99%

Dilute nanostructures built of dimers: Kinetic Monte Carlo study of Co on Cu(111)

Rogowska

2010

Phys. Rev. B

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The growth of Co on Cu͑111͒ at coverage 0.03 monolayer is studied by kinetic Monte Carlo simulations performed above temperature of dimer formation ͑20-21 K͒ in order to find a nanostructure composed primarily of dimers as an analog of the dilute nanostructure formed of monomers. Both of the nanostructures are stabilized by a long-range surface-state-mediated interaction between adatoms. In order to obtain the largest possible fraction of dimers the simulation procedure consists in deposition of adatoms at low temperature ͑7 K͒ and simulated annealing at higher temperatures. After 60-200 s of annealing at 21-22 K, about 87% of adatoms belongs to dimers. The dimers form dilute islands with a local hexagonal order and an average nearest-neighbor distance of 12.0͑5͒ Å. The nanostructure in the dimer state is stable up to 200 K.

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Dilute Cu nanostructure stabilized by substrate-mediated interactions onCu(111): Kinetic Monte Carlo simulations

Cited by 12 publications

References 24 publications

Effect of strain relaxations on heteroepitaxial metal-on-metal island nucleation and superlattice formation: Fe on Cu(111)

Effect of strain relaxations on heteroepitaxial metal-on-metal island nucleation and superlattice formation: Fe on Cu(111)

Electronic structure and magnetism of monatomic one‐dimensional metal nanostructures on metal surfaces

Dilute nanostructures built of dimers: Kinetic Monte Carlo study of Co on Cu(111)

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