TY - JOUR
T1 - Three carbon pairs in Si
AU - Docaj, A.
AU - Estreicher, S. K.
PY - 2012/8/1
Y1 - 2012/8/1
N2 - Carbon impurities in Si are common in floating-zone and cast-Si materials. The simplest and most discussed carbon complex is the interstitial- substitutional C iC s pair, which readily forms when self-interstitials are present in the material. This pair has three possible configurations, each of which is electrically active. The less common C sC s pair has been studied in irradiated material but has also recently been seen in as-grown C-rich cast-Si, which is commonly used to fabricate solar cells. The third pair consists of two interstitial C atoms: C iC i. Although its formation probability is low for several reasons, the C iC i pair is very stable and electrically inactive. In this contribution, we report preliminary results of first-principles calculations of these three C pairs in Si. The structures, binding energies, vibrational spectra, and electrical activity are predicted.
AB - Carbon impurities in Si are common in floating-zone and cast-Si materials. The simplest and most discussed carbon complex is the interstitial- substitutional C iC s pair, which readily forms when self-interstitials are present in the material. This pair has three possible configurations, each of which is electrically active. The less common C sC s pair has been studied in irradiated material but has also recently been seen in as-grown C-rich cast-Si, which is commonly used to fabricate solar cells. The third pair consists of two interstitial C atoms: C iC i. Although its formation probability is low for several reasons, the C iC i pair is very stable and electrically inactive. In this contribution, we report preliminary results of first-principles calculations of these three C pairs in Si. The structures, binding energies, vibrational spectra, and electrical activity are predicted.
KW - Carbon pairs
KW - Silicon
KW - Theory
UR - http://www.scopus.com/inward/record.url?scp=84861999759&partnerID=8YFLogxK
U2 - 10.1016/j.physb.2011.08.029
DO - 10.1016/j.physb.2011.08.029
M3 - Article
AN - SCOPUS:84861999759
SN - 0921-4526
VL - 407
SP - 2981
EP - 2984
JO - Physica B: Condensed Matter
JF - Physica B: Condensed Matter
IS - 15
ER -