Molecular dynamics simulations of multilayer homoepitaxial thin film growth in the diffusion-limited regime

Kelchner, Cynthia L.; DePristo, Andrew E.

doi:10.1016/s0039-6028(97)00560-8

Cited by 33 publications

(18 citation statements)

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“…This ''restricted downward funneling'' is believed to lead to the formation of overhangs and internal voids, as also predicted by molecular dynamics simulations for low-temperature growth. 26 The present Cu/Cu͑001͒ experiment as well as our previous observations for Ag homoepitaxy 25 indicate the presence of vacancies for the low-T growth on ͑001͒ surfaces, but, unlike what has been proposed 1 for Ag͑001͒, we observe a reentrant smooth growth on Cu͑001͒ in the presence of a large ͑2%͒ vacancy concentration. This suggests that, whatever the mechanism, the formation of vacancies during the low-T Cu͑001͒ homoepitaxy is unrelated to the microprotrusions ͑which yield rougher surfaces͒ found in the abovementioned simulations.…”

Section: Resultssupporting

confidence: 47%

Temperature dependence of surface roughening during homoepitaxial growth on Cu(001)

2001

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Section: Resultssupporting

confidence: 47%

Temperature dependence of surface roughening during homoepitaxial growth on Cu(001)

2001

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“…Motivated by molecular dynamics studies, 5,10,11 we propose that ''rough growth'' at 0 K can be described by a ''restricted downward funneling'' ͑RDF͒ model, where deposited atoms get caught on the sides of steep nanoprotrusions ͑which are prevalent below 120 K͒. As a result, overhangs and internal defects or voids can form in the growing film.…”

Section: Introductionmentioning

confidence: 99%

Metal homoepitaxial growth at very low temperatures: Lattice-gas models with restricted downward funneling

Caspersen

Evans

2001

Phys. Rev. B

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We develop and analyze 1+1-and 2+1-dimensional (d) models for multilayer homoepitaxial growth of metal films at low temperatures (T), where intralayer terrace diffusion is inoperative. This work is motivated by recent variable-temperature scanning tunneling microscopy studies of Ag/Ag(100) homoepitaxy down to 50 K. Adsorption sites are bridge sites in our 1+1d models, and fourfold hollow sites in our 2+1d models for fcc(100) or bcc(100) surfaces. For growth at 0 K, we introduce a "restricted downward funneling" model, wherein deposited atoms can be trapped on the sides of steep nanoprotrusions rather than always funneling down to lower adsorption sites. This leads to the formation of overhangs and internal defects (or voids), and associated "rough" growth. Upon increasing T, we propose that a series of interlayer diffusion processes become operative, with activation barriers below that for terrace diffusion. This leads to "smooth" growth of the film for higherT (but still within the regime where terrace diffusion is absent), similar to that observed in models incorporating "complete downward funneling. " Disciplines Chemistry | Mathematics | Physical Chemistry CommentsThis article is from Physical Review B 64 (2001) We develop and analyze 1ϩ1-and 2ϩ1-dimensional ͑d͒ models for multilayer homoepitaxial growth of metal films at low temperatures (T), where intralayer terrace diffusion is inoperative. This work is motivated by recent variable-temperature scanning tunneling microscopy studies of Ag/Ag͑100͒ homoepitaxy down to 50 K. Adsorption sites are bridge sites in our 1ϩ1d models, and fourfold hollow sites in our 2ϩ1d models for fcc͑100͒ or bcc͑100͒ surfaces. For growth at 0 K, we introduce a ''restricted downward funneling'' model, wherein deposited atoms can be trapped on the sides of steep nanoprotrusions rather than always funneling down to lower adsorption sites. This leads to the formation of overhangs and internal defects ͑or voids͒, and associated ''rough'' growth. Upon increasing T, we propose that a series of interlayer diffusion processes become operative, with activation barriers below that for terrace diffusion. This leads to ''smooth'' growth of the film for higher T ͑but still within the regime where terrace diffusion is absent͒, similar to that observed in models incorporating ''complete downward funneling.''

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“…A key point is that the surface becomes increasingly irregular and local slopes become steeper at lower T (see Table I). Molecular dynamics simulations of metal(100) homoepitaxy [14] indicate that in such situations, DF can break down, deposited atoms becoming captured on the sides of microprotrusions rather than reaching lower 4FH sites, leading to formation of overhangs and internal defects [ Fig. 3(b)].…”

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confidence: 99%

Using Temperature to Tune Film Roughness: Nonintuitive Behavior in a Simple System

et al. 2000

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Molecular dynamics simulations of multilayer homoepitaxial thin film growth in the diffusion-limited regime

Cited by 33 publications

References 20 publications

Temperature dependence of surface roughening during homoepitaxial growth on Cu(001)

Temperature dependence of surface roughening during homoepitaxial growth on Cu(001)

Metal homoepitaxial growth at very low temperatures: Lattice-gas models with restricted downward funneling

Using Temperature to Tune Film Roughness: Nonintuitive Behavior in a Simple System

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