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Stabilization of the γ-Sn phase in tin nanoparticles and nanowires

Hörmann, Nicolas G. and Gross, Axel and Rohrer, Jochen and Kaghazchi, Payam (2015):
Stabilization of the γ-Sn phase in tin nanoparticles and nanowires.
In: Applied Physics Letters, pp. 123101107 , 123101(1, 107, (12), ISSN 0003-6951,
[Online-Edition: http://dx.doi.org/10.1063/1.4931353],
[Article]

Abstract

Structures of Sn nanoparticles and nanowires are studied using density functional theory in conjunction with thermodynamic considerations. Besides the low-temperature α and room-temperature β phases, the high-temperature γ phase is considered. Results show that at ambient temperatures for sizes smaller than 50 nm, metallic β- and γ-Sn nanoparticles are more stable than semimetallic α-Sn ones because of their lower surface energies. Moreover, very small Sn nanostructures, exemplified by nanowires, are expected to exhibit the γ phase even at 0 K.

Item Type: Article
Erschienen: 2015
Creators: Hörmann, Nicolas G. and Gross, Axel and Rohrer, Jochen and Kaghazchi, Payam
Title: Stabilization of the γ-Sn phase in tin nanoparticles and nanowires
Language: English
Abstract:

Structures of Sn nanoparticles and nanowires are studied using density functional theory in conjunction with thermodynamic considerations. Besides the low-temperature α and room-temperature β phases, the high-temperature γ phase is considered. Results show that at ambient temperatures for sizes smaller than 50 nm, metallic β- and γ-Sn nanoparticles are more stable than semimetallic α-Sn ones because of their lower surface energies. Moreover, very small Sn nanostructures, exemplified by nanowires, are expected to exhibit the γ phase even at 0 K.

Journal or Publication Title: Applied Physics Letters
Volume: 107
Number: 12
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 15 Oct 2015 10:10
Official URL: http://dx.doi.org/10.1063/1.4931353
Identification Number: doi:10.1063/1.4931353
Funders: N.G.H. acknowledges computing resources provided by the Leibniz Supercomputing Center, Munich (LRZ). J.R. acknowledges the support through the priority program SPP1473 of the German research foundation (DFG). P.K. acknowledges the, support from the Bundesministerium für Bildung und Forschung (BMBF).
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