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Structural and mechanical properties of Sn-based intermetallics from ab initio calculations
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10.1063/1.2358832
/content/aip/journal/apl/89/14/10.1063/1.2358832
http://aip.metastore.ingenta.com/content/aip/journal/apl/89/14/10.1063/1.2358832

Figures

Image of FIG. 1.
FIG. 1.

Crystal structures of (a) (Ref. 33) and (b) (Ref. 34). Darker spheres are Sn atoms and the lighter spheres are the metallic atoms.

Tables

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Table I.

Experimental data on and .

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Table II.

Calculated lattice constants of and .

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Table III.

Calculated elastic constants (GPa) of (, points) and (, points).

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Table IV.

Bounds on the polycrystalline moduli calculated from GGA elastic constants.

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Table V.

Bounds on the polycrystalline moduli calculated from LDA elastic constants.

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/content/aip/journal/apl/89/14/10.1063/1.2358832
2006-10-04
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Structural and mechanical properties of Sn-based intermetallics from ab initio calculations
http://aip.metastore.ingenta.com/content/aip/journal/apl/89/14/10.1063/1.2358832
10.1063/1.2358832
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