Electronegativity and doping in Si1-xGe x alloys

Stavros Richard G. Christopoulos, Navaratnarajah Kuganathan, Alexander Chroneos

Research output: Contribution to journalArticlepeer-review

13 Citations (Scopus)


Silicon germanium alloys are technologically important in microelectronics but also they are an important paradigm and model system to study the intricacies of the defect processes on random alloys. The key in semiconductors is that dopants and defects can tune their electronic properties and although their impact is well established in elemental semiconductors such as silicon they are not well characterized in random semiconductor alloys such as silicon germanium. In particular the impact of electronegativity of the local environment on the electronic properties of the dopant atom needs to be clarified. Here we employ density functional theory in conjunction with special quasirandom structures model to show that the Bader charge of the dopant atoms is strongly dependent upon the nearest neighbor environment. This in turn implies that the dopants will behave differently is silicon-rich and germanium-rich regions of the silicon germanium alloy.

Original languageEnglish
Article number7459
Number of pages11
JournalScientific Reports
Issue number1
Early online date4 May 2020
Publication statusPublished - 1 Dec 2020
Externally publishedYes


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