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

Journal Article · Mon Sep 21 00:00:00 EDT 2015 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4931353· OSTI ID:22482138

Hörmann, N. G.; Gross, A. ^[1]; Rohrer, J. ^[2]

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1. Helmholtz Institute Ulm (HIU) Electrochemical Energy Storage, Helmholtzstr. 11 and Universität Ulm, Institut für Theoretische Chemie, Albert-Einstein-Allee 11, 89069 Ulm (Germany)
2. Institut für Materialwissenschaft, Fachgebiet Materialmodellierung, Technische Universität Darmstadt, Jovanka-Bontschits-Str. 2, 64287 Darmstadt (Germany)

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.

• OSTI ID: 22482138
• Journal Information: Applied Physics Letters, Vol. 107, Issue 12; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
AMBIENT TEMPERATURE
DENSITY FUNCTIONAL METHOD
NANOPARTICLES
NANOWIRES
STABILIZATION
SURFACE ENERGY
TIN