Composition dependent energy band gaps for the ternary alloy Si 1-x-yGexCy

Kyurhee Shim, Jung Wook Bae, Jong Soo Lim, Kyong Won Lee, Yunsoo Kim, Herschel Rabitz

Research output: Contribution to journalArticlepeer-review


The universal tight binding method based on sp3s* basis functions is used to calculate the electronic structure of the ternary alloy Si1-x-yGexCy. The dependences of the fundamental band gaps (E(Λ), E(Δ), E(L), and E(X)) are obtained and investigated for small concentrations of carbon (0 ≤ y ≤ 0.05). It is found that the presence of carbon in the alloy Si1-x-yGe xCy, results in a very significant change (i.e., reduction) of the alloy bond length with a small change of the energy band gaps. The energy band gap increases upon adding carbon to the strained alloy. However, the energy band gap decreases upon adding carbon while keeping the alloy lattice matched to the substrate Si. The calculated band gaps are in good agreement with the limited available experimental data and ab initio results.

Original languageEnglish (US)
Pages (from-to)148-152
Number of pages5
JournalPhysica Status Solidi (B) Basic Research
Issue number1
StatePublished - Nov 2003

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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