Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.2358832
Title: Structural and mechanical properties of Sn-based intermetallics from ab initio calculations
Authors: Lee, N.T.S.
Tan, V.B.C. 
Lim, K.M. 
Issue Date: 2006
Source: Lee, N.T.S., Tan, V.B.C., Lim, K.M. (2006). Structural and mechanical properties of Sn-based intermetallics from ab initio calculations. Applied Physics Letters 89 (14) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.2358832
Abstract: Density functional theory calculations on the structural and mechanical properties of two intermetallic compounds, Ni3 Sn4 and Ag3 Sn, are reported. The first-principles calculations predict the lattice constants and elastic constants of these Sn-based compounds. The results for lattice constants are found to be within 3% error of the experimental values. Bounds on polycrystalline elastic properties were then obtained, and these are close to the range of experimental values reported. The results provide further evidence for the usefulness and applicability of first-principles calculations when experimental data are sparse or unavailable. © 2006 American Institute of Physics.
Source Title: Applied Physics Letters
URI: http://scholarbank.nus.edu.sg/handle/10635/61387
ISSN: 00036951
DOI: 10.1063/1.2358832
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