KAUST DepartmentPhysical Sciences and Engineering (PSE) Division
Computational Physics and Materials Science (CPMS)
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AbstractSn1−xGex 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 Sn1−xGex with higher Sn content. In particular, the calculated deviations of the lattice parameters from Vegard’s Law are consistent with experimental results.
CitationChroneos A, Jiang C, Grimes RW, Schwingenschlögl U, Bracht H (2009) Defect interactions in Sn[sub 1-x]Ge[sub x] random alloys. Appl Phys Lett 94: 252104. doi:10.1063/1.3159468.
JournalApplied Physics Letters