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Structural development and energy dissipation in simulated silicon apices
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 surfa...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Beilstein-Institut
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3896295/ https://www.ncbi.nlm.nih.gov/pubmed/24455452 http://dx.doi.org/10.3762/bjnano.4.106 |
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author | Jarvis, Samuel Paul Kantorovich, Lev Moriarty, Philip |
author_facet | Jarvis, Samuel Paul Kantorovich, Lev Moriarty, Philip |
author_sort | Jarvis, Samuel Paul |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-3896295 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | Beilstein-Institut |
record_format | MEDLINE/PubMed |
spelling | pubmed-38962952014-01-21 Structural development and energy dissipation in simulated silicon apices Jarvis, Samuel Paul Kantorovich, Lev Moriarty, Philip Beilstein J Nanotechnol Full Research Paper 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. Beilstein-Institut 2013-12-20 /pmc/articles/PMC3896295/ /pubmed/24455452 http://dx.doi.org/10.3762/bjnano.4.106 Text en Copyright © 2013, Jarvis et al. https://creativecommons.org/licenses/by/2.0https://www.beilstein-journals.org/bjnano/termsThis is an Open Access article under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. The license is subject to the Beilstein Journal of Nanotechnology terms and conditions: (https://www.beilstein-journals.org/bjnano/terms) |
spellingShingle | Full Research Paper Jarvis, Samuel Paul Kantorovich, Lev Moriarty, Philip Structural development and energy dissipation in simulated silicon apices |
title | Structural development and energy dissipation in simulated silicon apices |
title_full | Structural development and energy dissipation in simulated silicon apices |
title_fullStr | Structural development and energy dissipation in simulated silicon apices |
title_full_unstemmed | Structural development and energy dissipation in simulated silicon apices |
title_short | Structural development and energy dissipation in simulated silicon apices |
title_sort | structural development and energy dissipation in simulated silicon apices |
topic | Full Research Paper |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3896295/ https://www.ncbi.nlm.nih.gov/pubmed/24455452 http://dx.doi.org/10.3762/bjnano.4.106 |
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