Experimental and theoretical studies of single Pb atom dynamics in one Si(1 1 1)-(7 × 7) unit cell

P. Jelínek; M. Ondřejček; J. Slezák; V. Cháb

doi:10.1016/j.susc.2003.09.010

Experimental and theoretical studies of single Pb atom dynamics in one Si(1 1 1)-(7 × 7) unit cell

P. Jelínek, M. Ondřejček, J. Slezák, V. Cháb

Research output: Contribution to journal › Article › peer-review

Abstract

The theoretical simulation of single Pb atom motion in faulted and unfaulted halves of a Si(111)-(7×7) surface were performed using the kinetic Monte Carlo method. Modifying diffusion barriers within the unit cell, the results were fitted to STM observations over a wide temperature range between 50 and 300 K. The average activation energy of a single atom jump was estimated to be approximately 0.1-0.2 eV, giving a diffusion coefficient of ≈3×10^-5 cm²s^-1 at 300 K inside the Si(111)-(7×7) unit cell.

Original language	English (US)
Pages (from-to)	339-347
Number of pages	9
Journal	Surface Science
Volume	544
Issue number	2-3
DOIs	https://doi.org/10.1016/j.susc.2003.09.010
State	Published - Oct 20 2003
Externally published	Yes

Keywords

Monte Carlo simulations
Scanning tunneling microscopy
Surface diffusion

ASJC Scopus subject areas

Condensed Matter Physics
Surfaces and Interfaces
Surfaces, Coatings and Films
Materials Chemistry

Online availability

10.1016/j.susc.2003.09.010

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title = "Experimental and theoretical studies of single Pb atom dynamics in one Si(1 1 1)-(7 × 7) unit cell",

abstract = "The theoretical simulation of single Pb atom motion in faulted and unfaulted halves of a Si(111)-(7×7) surface were performed using the kinetic Monte Carlo method. Modifying diffusion barriers within the unit cell, the results were fitted to STM observations over a wide temperature range between 50 and 300 K. The average activation energy of a single atom jump was estimated to be approximately 0.1-0.2 eV, giving a diffusion coefficient of ≈3×10-5 cm2s-1 at 300 K inside the Si(111)-(7×7) unit cell.",

keywords = "Monte Carlo simulations, Scanning tunneling microscopy, Surface diffusion",

author = "P. Jel{\'i}nek and M. Ond{\v r}ej{\v c}ek and J. Slez{\'a}k and V. Ch{\'a}b",

note = "Funding Information: This work was supported by the Grant Agency of the Czech Republic (grants nos. 202/99/P001 and 202/98/K002).",

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doi = "10.1016/j.susc.2003.09.010",

language = "English (US)",

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journal = "Surface Science",

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T1 - Experimental and theoretical studies of single Pb atom dynamics in one Si(1 1 1)-(7 × 7) unit cell

AU - Jelínek, P.

AU - Ondřejček, M.

AU - Slezák, J.

AU - Cháb, V.

N1 - Funding Information: This work was supported by the Grant Agency of the Czech Republic (grants nos. 202/99/P001 and 202/98/K002).

PY - 2003/10/20

Y1 - 2003/10/20

N2 - The theoretical simulation of single Pb atom motion in faulted and unfaulted halves of a Si(111)-(7×7) surface were performed using the kinetic Monte Carlo method. Modifying diffusion barriers within the unit cell, the results were fitted to STM observations over a wide temperature range between 50 and 300 K. The average activation energy of a single atom jump was estimated to be approximately 0.1-0.2 eV, giving a diffusion coefficient of ≈3×10-5 cm2s-1 at 300 K inside the Si(111)-(7×7) unit cell.

AB - The theoretical simulation of single Pb atom motion in faulted and unfaulted halves of a Si(111)-(7×7) surface were performed using the kinetic Monte Carlo method. Modifying diffusion barriers within the unit cell, the results were fitted to STM observations over a wide temperature range between 50 and 300 K. The average activation energy of a single atom jump was estimated to be approximately 0.1-0.2 eV, giving a diffusion coefficient of ≈3×10-5 cm2s-1 at 300 K inside the Si(111)-(7×7) unit cell.

KW - Monte Carlo simulations

KW - Scanning tunneling microscopy

KW - Surface diffusion

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Experimental and theoretical studies of single Pb atom dynamics in one Si(1 1 1)-(7 × 7) unit cell

Abstract

Keywords

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