Structure-Property Relations in Pb-Supersaturated Metastable Sn-Rich Pb-Sn Alloys

0585391 - ÚFM 2025 RIV US eng J - Journal Article
Friák, Martin - Čípek, Petr - Pavlů, J. - Zobač, Ondřej - Roupcová, Pavla - Miháliková, Ivana - Holec, D. - Msallamová, Š. - Michalcová, A.
Structure-Property Relations in Pb-Supersaturated Metastable Sn-Rich Pb-Sn Alloys.
Metallurgical and Materials Transactions A. early access (2024). ISSN 1073-5623. E-ISSN 1543-1940
R&D Projects: GA ČR(CZ) GA22-05801S
Institutional support: RVO:68081723
Keywords : tin * crystal * quantum-mechanical calculations * ab initio * stability
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 2.8, year: 2022
Method of publishing: Limited access
https://link.springer.com/article/10.1007/s11661-024-07362-3

We have performed a theoretical study of three polymorphs of Pb-supersaturated Sn-rich Pb-Sn alloys with the α-Sn, β-Sn, and a simple-hexagonal γ-Sn structure employing quantum-mechanical calculations. We focused on structure–property relations in the case of lattice parameters, thermodynamic stability, elastic properties, and mechanical stability as well as electronic-structure density of states. Compositional trends in structural, thermodynamic, and electronic properties were found nearly linear. Our study also sheds new light on a decades-long controversy surrounding the existence of γ-phase and β-phase supersaturated Sn-rich Pb-Sn alloys. We suggest that the experimental difficulties when synthesizing them are caused by their high formation energy and mechanical instability of the β-phase. © The Minerals, Metals & Materials Society and ASM International 2024.
Permanent Link: https://hdl.handle.net/11104/0353114