Defect interactions in Sn_1-xGe_x random alloys

Chroneos, A.; Jiang, C.; Schwingenschlögl, U. and Bracht, H. (2009). Defect interactions in Sn_1-xGe_x random alloys. Applied Physics Letters, 94(25) p. 252104.

DOI: https://doi.org/10.1063/1.3159468

Abstract

Sn_1-xGe_x alloys are candidates for buffer layers to match the lattices of III-V or II-VI compounds with Si or Ge for microelectronic or optoelectronic applications. In the present work electronic structure calculations are used to study relative energies of clusters formed between Sn atoms and lattice vacancies in Ge that relate to alloys of low Sn content. We also establish that the special quasirandom structure approach correctly describes the random alloy nature of Sn_1-xGe_x with higher Sn content. In particular, the calculated deviations of the lattice parameters from Vegard's Law are consistent with experimental results.

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