KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Office of the VP
Physical Science and Engineering (PSE) Division
Online Publication Date2009-06-23
Print Publication Date2009-06-22
Permanent link to this recordhttp://hdl.handle.net/10754/315739
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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