Hörmann, Nicolas G. ; Gross, Axel ; Rohrer, Jochen ; Kaghazchi, Payam (2015)
Stabilization of the γ-Sn phase in tin nanoparticles and nanowires.
In: Applied Physics Letters, 107 (12)
doi: 10.1063/1.4931353
Artikel, Bibliographie
Kurzbeschreibung (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.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2015 |
| Autor(en): | Hörmann, Nicolas G. ; Gross, Axel ; Rohrer, Jochen ; Kaghazchi, Payam |
| Art des Eintrags: | Bibliographie |
| Titel: | Stabilization of the γ-Sn phase in tin nanoparticles and nanowires |
| Sprache: | Englisch |
| Publikationsjahr: | 16 August 2015 |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Applied Physics Letters |
| Jahrgang/Volume einer Zeitschrift: | 107 |
| (Heft-)Nummer: | 12 |
| DOI: | 10.1063/1.4931353 |
| Kurzbeschreibung (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. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften |
| Hinterlegungsdatum: | 15 Okt 2015 10:10 |
| Letzte Änderung: | 03 Mär 2016 09:16 |
| PPN: | |
| Sponsoren: | 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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