C60 -induced Devil's Staircase transformation on a Pb/Si(111) wetting layer

Wang, Lin -Lin; Johnson, Duane D.; Tringides, Michael C.

doi:10.1103/PhysRevB.92.245405

Title: $C_{60}$ -induced Devil's Staircase transformation on a Pb/Si(111) wetting layer

Abstract

Density functional theory is used to study structural energetics of Pb vacancy cluster formation on C₆₀/Pb/Si(111) to explain the unusually fast and error-free transformations between the “Devil's Staircase” (DS) phases on the Pb/Si(111) wetting layer at low temperature (~110K). The formation energies of vacancy clusters are calculated in C₆₀/Pb/Si(111) as Pb atoms are progressively ejected from the initial dense Pb wetting layer. Vacancy clusters larger than five Pb atoms are found to be stable with seven being the most stable, while vacancy clusters smaller than five are highly unstable, which agrees well with the observed ejection rate of ~5 Pb atoms per C₆₀. Furthermore, the high energy cost (~0.8 eV) for the small vacancy clusters to form indicates convincingly that the unusually fast transformation observed experimentally between the DS phases, upon C₆₀ adsorption at low temperature, cannot be the result of single-atom random walk diffusion but of correlated multi-atom processes.

Authors:

Wang, Lin -Lin ^[1]; Johnson, Duane D. ^[2]; Tringides, Michael C. ^[2]

Ames Lab., Ames, IA (United States)
Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)

Publication Date:: Thu Dec 03 00:00:00 EST 2015

Research Org.:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1234513

Alternate Identifier(s):: OSTI ID: 1227744

Report Number(s):: IS-J-8853
Journal ID: ISSN 1098-0121; PRBMDO

Grant/Contract Number:: AC02-07CH11358

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Volume: 92; Journal Issue: 24; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats


                    Wang, Lin -Lin, Johnson, Duane D., and Tringides, Michael C. C60 -induced Devil's Staircase transformation on a Pb/Si(111) wetting layer.  United States: N. p., 2015. 
Web.  doi:10.1103/PhysRevB.92.245405.

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                    Wang, Lin -Lin, Johnson, Duane D., & Tringides, Michael C. C60 -induced Devil's Staircase transformation on a Pb/Si(111) wetting layer.  United States.  https://doi.org/10.1103/PhysRevB.92.245405

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                    Wang, Lin -Lin, Johnson, Duane D., and Tringides, Michael C. Thu .  
"C60 -induced Devil's Staircase transformation on a Pb/Si(111) wetting layer".  United States.  https://doi.org/10.1103/PhysRevB.92.245405.  https://www.osti.gov/servlets/purl/1234513.

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@article{osti_1234513,

  title        = {C60 -induced Devil's Staircase transformation on a Pb/Si(111) wetting layer},

  author       = {Wang, Lin -Lin and Johnson, Duane D. and Tringides, Michael C.},

  abstractNote = {Density functional theory is used to study structural energetics of Pb vacancy cluster formation on C60/Pb/Si(111) to explain the unusually fast and error-free transformations between the “Devil's Staircase” (DS) phases on the Pb/Si(111) wetting layer at low temperature (~110K). The formation energies of vacancy clusters are calculated in C60/Pb/Si(111) as Pb atoms are progressively ejected from the initial dense Pb wetting layer. Vacancy clusters larger than five Pb atoms are found to be stable with seven being the most stable, while vacancy clusters smaller than five are highly unstable, which agrees well with the observed ejection rate of ~5 Pb atoms per C60. Furthermore, the high energy cost (~0.8 eV) for the small vacancy clusters to form indicates convincingly that the unusually fast transformation observed experimentally between the DS phases, upon C60 adsorption at low temperature, cannot be the result of single-atom random walk diffusion but of correlated multi-atom processes.},

  doi          = {10.1103/PhysRevB.92.245405},

  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  number       = 24,

  volume       = 92,

  place        = {United States},

  year         = {Thu Dec 03 00:00:00 EST 2015},

  month        = {Thu Dec 03 00:00:00 EST 2015}

}

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Magnetic irreversibility in VO ₂ /Ni bilayers
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Title: C 60 -induced Devil's Staircase transformation on a Pb/Si(111) wetting layer

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Citation Formats

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Spontaneous Domain Switching during Phase Separation of Pb on Ge(111) journal, August 2007

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Stress Induced Stripe Formation in Pd / W ( 110 ) journal, August 2008

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Low-Temperature Ultrafast Mobility in Systems with Long-Range Repulsive Interactions: Pb / Si ( 111 ) journal, March 2007

Anomalous Mass Transport in the Pb Wetting Layer on the Si(111) Surface journal, November 2008

Superdiffusive Motion of the Pb Wetting Layer on the Si(111) Surface journal, January 2013

Nonclassical “Explosive” Nucleation in Pb/Si(111) at Low Temperatures journal, December 2014

Structural transformations in Pb/Si(111) phases induced by C 60 adsorption journal, September 2013

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One-Dimensional Ising Model and the Complete Devil's Staircase journal, July 1982

Anomalous Fast Dynamics of Adsorbate Overlayers near an Incommensurate Structural Transition journal, September 2013

Coverage-Dependent Collective Diffusion of a Dense Pb Wetting Layer on Si(111) journal, January 2012

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Charge transfer and screening in individual C 60 molecules on metal substrates: A scanning tunneling spectroscopy and theoretical study journal, September 2004

Atomlike, Hollow-Core-Bound Molecular Orbitals of C60 journal, April 2008

Passing Current through Touching Molecules journal, November 2009

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Adsorption of C 60 on Au(111) revisited: A van der Waals density functional study journal, June 2011

Adsorbate-induced reconstruction by C 60 on close-packed metal surfaces: Mechanism for different types of reconstruction journal, February 2012

Ground State of the Electron Gas by a Stochastic Method journal, August 1980

Projector augmented-wave method journal, December 1994

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

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Title: $C_{60}$ -induced Devil's Staircase transformation on a Pb/Si(111) wetting layer

Self-assembled domain patterns
journal, August 2001

Spontaneous Domain Switching during Phase Separation of Pb on Ge(111)
journal, August 2007

Nanoscale Periodicity in Stripe-Forming Systems at High Temperature: $Au / W (110)$
journal, May 2008

Stress Induced Stripe Formation in $Pd / W (110)$
journal, August 2008

Emergent Collective Phenomena in a Mixture of Hard Shapes through Active Rotation
journal, February 2014

Analysis of pattern formation in systems with competing range interactions
journal, June 2012

Ultrafast kinetics in $Pb ∕ Si (111)$ from the collective spreading of the wetting layer
journal, June 2007

Low-Temperature Ultrafast Mobility in Systems with Long-Range Repulsive Interactions: $Pb / Si (111)$
journal, March 2007

Anomalous Mass Transport in the Pb Wetting Layer on the Si(111) Surface
journal, November 2008

Superdiffusive Motion of the Pb Wetting Layer on the Si(111) Surface
journal, January 2013

Nonclassical “Explosive” Nucleation in Pb/Si(111) at Low Temperatures
journal, December 2014

Structural transformations in Pb/Si(111) phases induced by C ₆₀ adsorption
journal, September 2013

“Devil’s Staircase” in $P b / S i (111)$ Ordered Phases
journal, May 2003

One-Dimensional Ising Model and the Complete Devil's Staircase
journal, July 1982

Anomalous Fast Dynamics of Adsorbate Overlayers near an Incommensurate Structural Transition
journal, September 2013

Coverage-Dependent Collective Diffusion of a Dense Pb Wetting Layer on Si(111)
journal, January 2012

Electronic and geometric structure of $C_{60}$ on Al(111) and Al(110)
journal, March 1998

Adatom-Vacancy Mechanisms for the $C_{60} / A l (111) − (6 \times 6)$ Reconstruction
journal, October 2003

X-ray-diffraction characterization of Pt(111) surface nanopatterning induced by C60 adsorption
journal, August 2005

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journal, December 2011

Surface Geometry of $C_{60}$ on Ag(111)
journal, July 2009

Elucidating the dynamical equilibrium of C $_{60}$ molecules on Ag(111)
journal, November 2012

Spatially resolved conductance of oriented C ₆₀
journal, June 2008

(2 $\sqrt 3 \times 2 \sqrt 3$ ) $R 30^{\circ}$ induced self-assembly ordering by C $_{60}$ on a Au(111) surface: X-ray diffraction structure analysis
journal, August 2012

Structure and dynamics of $C_{60}$ molecules on Au(111)
journal, June 2014

Optimal Electron Doping of a $C_{60}$ Monolayer on Cu(111) via Interface Reconstruction
journal, January 2010

Detailed low-energy electron diffraction analysis of the ( $4 \times 4$ ) surface structure of C $_{60}$ on Cu(111): Seven-atom-vacancy reconstruction
journal, August 2012

Inhomogeneous Electron Gas
journal, November 1964

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965

The dense α-√3×√3Pb/Si(111) phase: A comprehensive STM and SPA-LEED study of ordering, phase transitions and interactions
journal, April 2006

Spatially Mapping the Spectral Density of a Single $C_{60}$ Molecule
journal, March 2003

Density functional study of the adsorption of a $C_{60}$ monolayer on Ag(111) and Au(111) surfaces
journal, April 2004

Charge transfer and screening in individual $C_{60}$ molecules on metal substrates: A scanning tunneling spectroscopy and theoretical study
journal, September 2004

Atomlike, Hollow-Core-Bound Molecular Orbitals of C60
journal, April 2008

Passing Current through Touching Molecules
journal, November 2009

Two bonding configurations for individually adsorbed $C_{60}$ molecules on Au(111)
journal, September 2010

Adsorption of $C_{60}$ on Au(111) revisited: A van der Waals density functional study
journal, June 2011

Adsorbate-induced reconstruction by C $_{60}$ on close-packed metal surfaces: Mechanism for different types of reconstruction
journal, February 2012

Ground State of the Electron Gas by a Stochastic Method
journal, August 1980

Projector augmented-wave method
journal, December 1994

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Analysis of van der Waals density functional components: Binding and corrugation of benzene and C $_{60}$ on boron nitride and graphene
journal, May 2013

Density functional study of structural trends for late-transition-metal 13-atom clusters
journal, June 2007

First-principles studies of structures and stabilities of Pb/Si(111)
journal, July 2003

From C ₆₀ “trilliumons” to “trilliumenes:” Self-assembly of 2D fullerene nanostructures on metal-covered silicon and germanium
journal, July 2018

Magnetic irreversibility in VO ₂ /Ni bilayers
journal, August 2018