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Published in:
01-08-2013
Impact of the germanium concentration in the stability of E-centers and A-centers in Si1−xGex
Published in: Journal of Materials Science: Materials in Electronics | Issue 8/2013
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Abstract
Electronic structure calculations are used to investigate the association of lattice vacancies and oxygen interstitials (known as A-centers) and compare them to vacancy-phosphorous atom pairs (known as E-centers) in silicon germanium (Si1−xGex) alloys. The local environment surrounding the A-centers and E-centers is described by the application of the special quasirandom structures approach. It is calculated that the stability of the A-centers and the E-centers is not linearly dependent upon the germanium concentration. The nearest neighbor environment will exert a strong influence upon the stability of these defects. These defect pairs will behave differently with respect to the Ge concentration as the oxygen interstitial (in the A-center) and the phosphorous atom (in the E-center) interact with the host lattice in a different manner. The results are discussed in view of recent theoretical and experimental investigations.