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Structural development and energy dissipation in simulated silicon apices

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Structural development and energy dissipation in simulated silicon apices. / Jarvis, Samuel Paul; Kantorovich, Lev; Moriarty, Philip.
In: Beilstein Journal of Nanotechnology, Vol. 4, 20.12.2013, p. 941-948.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Jarvis, SP, Kantorovich, L & Moriarty, P 2013, 'Structural development and energy dissipation in simulated silicon apices', Beilstein Journal of Nanotechnology, vol. 4, pp. 941-948. https://doi.org/10.3762/bjnano.4.106

APA

Jarvis, S. P., Kantorovich, L., & Moriarty, P. (2013). Structural development and energy dissipation in simulated silicon apices. Beilstein Journal of Nanotechnology, 4, 941-948. https://doi.org/10.3762/bjnano.4.106

Vancouver

Jarvis SP, Kantorovich L, Moriarty P. Structural development and energy dissipation in simulated silicon apices. Beilstein Journal of Nanotechnology. 2013 Dec 20;4:941-948. doi: 10.3762/bjnano.4.106

Author

Jarvis, Samuel Paul ; Kantorovich, Lev ; Moriarty, Philip. / Structural development and energy dissipation in simulated silicon apices. In: Beilstein Journal of Nanotechnology. 2013 ; Vol. 4. pp. 941-948.

Bibtex

@article{ac172937003643e389104eafc4c3886c,
title = "Structural development and energy dissipation in simulated silicon apices",
abstract = "In this paper we examine the stability of silicon tip apices by using density functional theory (DFT) calculations. We find that some tip structures - modelled as small, simple clusters - show variations in stability during manipulation dependent on their orientation with respect to the sample surface. Moreover, we observe that unstable structures can be revealed by a characteristic hysteretic behaviour present in the F(z) curves that were calculated with DFT, which corresponds to a tip-induced dissipation of hundreds of millielectronvolts resulting from reversible structural deformations. Additionally, in order to model the structural evolution of the tip apex within a low temperature NC-AFM experiment, we simulated a repeated tip–surface indentation until the tip structure converged to a stable termination and the characteristic hysteretic behaviour was no longer observed. Our calculations suggest that varying just a single rotational degree of freedom can have as measurable an impact on the tip–surface interaction as a completely different tip structure.",
keywords = "apex structure, atomic force microscopy, DFT, dissipation, hysteresis, licensee beilstein-institut , NC-AFM, silicon , spectroscopy, tip structure",
author = "Jarvis, {Samuel Paul} and Lev Kantorovich and Philip Moriarty",
year = "2013",
month = dec,
day = "20",
doi = "10.3762/bjnano.4.106",
language = "English",
volume = "4",
pages = "941--948",
journal = "Beilstein Journal of Nanotechnology",
issn = "2190-4286",
publisher = "Beilstein-Institut Zur Forderung der Chemischen Wissenschaften",

}

RIS

TY - JOUR

T1 - Structural development and energy dissipation in simulated silicon apices

AU - Jarvis, Samuel Paul

AU - Kantorovich, Lev

AU - Moriarty, Philip

PY - 2013/12/20

Y1 - 2013/12/20

N2 - In this paper we examine the stability of silicon tip apices by using density functional theory (DFT) calculations. We find that some tip structures - modelled as small, simple clusters - show variations in stability during manipulation dependent on their orientation with respect to the sample surface. Moreover, we observe that unstable structures can be revealed by a characteristic hysteretic behaviour present in the F(z) curves that were calculated with DFT, which corresponds to a tip-induced dissipation of hundreds of millielectronvolts resulting from reversible structural deformations. Additionally, in order to model the structural evolution of the tip apex within a low temperature NC-AFM experiment, we simulated a repeated tip–surface indentation until the tip structure converged to a stable termination and the characteristic hysteretic behaviour was no longer observed. Our calculations suggest that varying just a single rotational degree of freedom can have as measurable an impact on the tip–surface interaction as a completely different tip structure.

AB - In this paper we examine the stability of silicon tip apices by using density functional theory (DFT) calculations. We find that some tip structures - modelled as small, simple clusters - show variations in stability during manipulation dependent on their orientation with respect to the sample surface. Moreover, we observe that unstable structures can be revealed by a characteristic hysteretic behaviour present in the F(z) curves that were calculated with DFT, which corresponds to a tip-induced dissipation of hundreds of millielectronvolts resulting from reversible structural deformations. Additionally, in order to model the structural evolution of the tip apex within a low temperature NC-AFM experiment, we simulated a repeated tip–surface indentation until the tip structure converged to a stable termination and the characteristic hysteretic behaviour was no longer observed. Our calculations suggest that varying just a single rotational degree of freedom can have as measurable an impact on the tip–surface interaction as a completely different tip structure.

KW - apex structure

KW - atomic force microscopy

KW - DFT

KW - dissipation

KW - hysteresis

KW - licensee beilstein-institut

KW - NC-AFM

KW - silicon

KW - spectroscopy

KW - tip structure

U2 - 10.3762/bjnano.4.106

DO - 10.3762/bjnano.4.106

M3 - Journal article

VL - 4

SP - 941

EP - 948

JO - Beilstein Journal of Nanotechnology

JF - Beilstein Journal of Nanotechnology

SN - 2190-4286

ER -