Dissociative adsorption of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">PH</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>on the Si(001) surface

Miotto, R.; Srivastava, G. P.; Ferraz, A. C.

doi:10.1103/physrevb.63.125321

Cited by 35 publications

(32 citation statements)

References 28 publications

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“…Extensive theoretical modeling 19,[28][29][30][31][32][33] in conjunction with detailed STM images provided a consistent interpretation of the first stage of this reaction, namely the thermal dissociation of PH 3 into phosphorus and hydrogen adatoms. However, the subsequent incorporation reactions that take phosphorus adatoms into the surface remain unclear.…”

Section: Introductionmentioning

confidence: 82%

Diffusion pathways of phosphorus atoms on silicon (001)

et al. 2009

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Using density functional theory and a combination of growing string and dimer method transition state searches, we investigate the interaction of phosphorus atoms with the silicon (001) surface.We report reaction pathways for three technologically important processes: diffusion of phosphorus adatoms on the surface, incorporation of the phosphorus adatom into the surface, and diffusion of the incorporated phosphorus atom within the surface. These reactions have direct relevance to nanoscale lithographic schemes capable of positioning single phosphorus atoms on the silicon surface. Temperatures of activation for the various processes are calculated and, where possible, compared with experiment.

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Section: Introductionmentioning

confidence: 82%

Diffusion pathways of phosphorus atoms on silicon (001)

et al. 2009

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“…For both ARTICLE IN PRESS www.elsevier.com/locate/jcrysgro 0022-0248/$ -see front matter r 2004 Elsevier B.V. All rights reserved. doi: 10.1016/j.jcrysgro.2004.08.043 As-and P-terminated Si(1 0 0) surfaces prepared in UHV, mainly (2 Â 1)/(1 Â 2) reconstructed surfaces terminated by V-V dimers are reported [4][5][6].…”

Section: Introductionmentioning

confidence: 97%

An RDS, LEED, and STM Study of MOCVD-Prepared Si(100) surfaces

Hannappel

McMahon

Olson

2004

Journal of Crystal Growth

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“…There have been a few theoretical studies addressing the question whether PH 3 adsorbs dissociatively or molecularly on Si(001) [14,15,16]. To our knowledge, there are no systematic theoretical studies of P-covered Si(001) surface as a function of coverage.…”

Section: Introductionmentioning

confidence: 99%

Structural studies of phosphorus induced dimers on Si(001)

2006

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Renewed focus on the P-Si system due to its potential application in quantum computing and self-directed growth of molecular wires, has led us to study structural changes induced by P upon placement on Si(001)-p(2 × 1). Using first-principles density functional theory (DFT) based pseudopotential method, we have performed calculations for P-Si(001) system, starting from an isolated P atom on the surface, and systematically increasing the coverage up to a full monolayer. An isolated P atom can favorably be placed on an M site between two atoms of adjacent Si dimers belonging to the same Si dimer row. But being incorporated in the surface is even more energetically beneficial due to the participation of the M site as a receptor for the ejected Si. Our calculations show that up to 1 8 monolayer coverage, hetero-dimer structure resulting from replacement of surface Si atoms with P is energetically favorable. Recently observed zig-zag features in STM are found to be consistent with this replacement process. As coverage increases, the hetero-dimers give way to P-P ortho-dimers on the Si dimer rows. This behavior is similar to that of Si-Si d-dimers but are to be contrasted with the Al-Al dimers, which are found between adjacent Si dimers rows and in a paradimer arrangement. Unlike Al-Si system P-Si does not show any para to ortho transition. For both systems, the surface reconstruction is lifted at about one monolayer coverage. These calculations help us in understanding the experimental data obtained using scanning tunneling microscope.

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Dissociative adsorption ofPH3on the Si(001) surface

Cited by 35 publications

References 28 publications

Diffusion pathways of phosphorus atoms on silicon (001)

Diffusion pathways of phosphorus atoms on silicon (001)

An RDS, LEED, and STM Study of MOCVD-Prepared Si(100) surfaces

Structural studies of phosphorus induced dimers on Si(001)

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