Cyclic Single Atom Vertical Manipulation on a Non-Metallic Surface

David Abbasi Perez; Hongqian Sang; Filipe Junqueira; adam sweetman; José Manuel Recio; Philip Moriarty; Lev Kantorovich

Cyclic Single Atom Vertical Manipulation on a Non-Metallic Surface

David Abbasi Perez, Hongqian Sang, Filipe Junqueira, adam sweetman, José Manuel Recio, Philip Moriarty, Lev Kantorovich

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Abstract

Motivated by the quest for experimental procedures capable of controlled manipulation of single atoms on surfaces, we set up a computational strategy that explores the cyclical vertical manipulation of a broad set of single atoms on the GaAs(110) surface. First-principles simulations of atomic force microscope tip-sample interactions were performed considering families of GaAs and Au-terminated tip apices with varying crystalline termination. We identiﰄed a subset of tips capable of both picking up and depositing an adatom (Ga, As, Al, and Au) any number of times, via a modify-restore cycle that `resets' the apex of the scanning probe to its original structure at the end of each cycle. Manipulation becomes successful within a certain window of lateral and vertical tip distances that are observed to be diﰃerent for extracting and depositing each atom. A practical experimental protocol of special utility for potential cyclical manipulation of single atoms on a non-metallic surface is proposed.

Original language	English
Journal	Journal of physical chemistry letters
Publication status	Accepted/In press - 30 Jul 2021

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Cyclic Single Atom Vertical _ABBASI-PEREZ_Accepted2021_GREEN AAMAccepted author manuscript, 8.45 MB

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title = "Cyclic Single Atom Vertical Manipulation on a Non-Metallic Surface",

abstract = "Motivated by the quest for experimental procedures capable of controlled manipulation of single atoms on surfaces, we set up a computational strategy that explores the cyclical vertical manipulation of a broad set of single atoms on the GaAs(110) surface. First-principles simulations of atomic force microscope tip-sample interactions were performed considering families of GaAs and Au-terminated tip apices with varying crystalline termination. We identiﰄed a subset of tips capable of both picking up and depositing an adatom (Ga, As, Al, and Au) any number of times, via a modify-restore cycle that `resets' the apex of the scanning probe to its original structure at the end of each cycle. Manipulation becomes successful within a certain window of lateral and vertical tip distances that are observed to be diﰃerent for extracting and depositing each atom. A practical experimental protocol of special utility for potential cyclical manipulation of single atoms on a non-metallic surface is proposed.",

author = "{Abbasi Perez}, David and Hongqian Sang and Filipe Junqueira and adam sweetman and Recio, {Jos{\'e} Manuel} and Philip Moriarty and Lev Kantorovich",

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journal = "Journal of physical chemistry letters",

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T1 - Cyclic Single Atom Vertical Manipulation on a Non-Metallic Surface

AU - Abbasi Perez, David

AU - Sang, Hongqian

AU - Junqueira, Filipe

AU - sweetman, adam

AU - Recio, José Manuel

AU - Moriarty, Philip

AU - Kantorovich, Lev

PY - 2021/7/30

Y1 - 2021/7/30

N2 - Motivated by the quest for experimental procedures capable of controlled manipulation of single atoms on surfaces, we set up a computational strategy that explores the cyclical vertical manipulation of a broad set of single atoms on the GaAs(110) surface. First-principles simulations of atomic force microscope tip-sample interactions were performed considering families of GaAs and Au-terminated tip apices with varying crystalline termination. We identiﰄed a subset of tips capable of both picking up and depositing an adatom (Ga, As, Al, and Au) any number of times, via a modify-restore cycle that `resets' the apex of the scanning probe to its original structure at the end of each cycle. Manipulation becomes successful within a certain window of lateral and vertical tip distances that are observed to be diﰃerent for extracting and depositing each atom. A practical experimental protocol of special utility for potential cyclical manipulation of single atoms on a non-metallic surface is proposed.

AB - Motivated by the quest for experimental procedures capable of controlled manipulation of single atoms on surfaces, we set up a computational strategy that explores the cyclical vertical manipulation of a broad set of single atoms on the GaAs(110) surface. First-principles simulations of atomic force microscope tip-sample interactions were performed considering families of GaAs and Au-terminated tip apices with varying crystalline termination. We identiﰄed a subset of tips capable of both picking up and depositing an adatom (Ga, As, Al, and Au) any number of times, via a modify-restore cycle that `resets' the apex of the scanning probe to its original structure at the end of each cycle. Manipulation becomes successful within a certain window of lateral and vertical tip distances that are observed to be diﰃerent for extracting and depositing each atom. A practical experimental protocol of special utility for potential cyclical manipulation of single atoms on a non-metallic surface is proposed.

M3 - Article

SN - 1948-7185

JO - Journal of physical chemistry letters

JF - Journal of physical chemistry letters

ER -

Cyclic Single Atom Vertical Manipulation on a Non-Metallic Surface

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