I6nterstitial carbon-oxygen center and hydrogen related shallow thermal donors in Si

The CiOi(SiI)2 defect in silicon: density functional theory calculations

“…Consistently with previous DFT studies [14,31,32] the energetically favourable structure of the C i O i defect is the ring configuration (known as R-form) rather than the configuration where the O i is occupying an interstitial site in between two Si (known as O-form) atoms that effectively resembles its position in undoped Si. The energy difference between these two configurations is 0.003 eV.…”

Controlling A-center concentration in silicon through isovalent doping: mass action analysis

“…[17][18][19] These defects in turn introduce states within the Si band gap, which can impact devices [20][21][22] and therefore their structure and properties have been thoroughly investigated. [23][24][25][26][27] Finally, during irradiation Ci, CiOi, and CiCs defects are nucleation centres for more extended defects such as CiOiSiI. [28][29][30] The experimental studies of Watkins 31,32 and Kimerling et al 33 demonstrated that isovalent impurities [carbon (C), germanium (Ge) and tin (Sn)] can impact the formation processes of VO pairs in Si.…”

Hydrogen-plasma-induced thermal donors in high resistivity n-type magnetic Czochralski-grown silicon

“…[4][5][6] A combined theoretical and experimental study has pointed out that the C i O i H ͑interstitial-carbon-interstitial-oxygen-hydrogen͒ complex could be the core of the STDH center. 7 From an electronnuclear double resonance study, it was derived that the STDH and OTD centers have a similar overall structure, except that they are single and double donors, respectively. 8 Therefore, it was also proposed that the formation of a STDH center could be caused by the capture of one hydrogen atom ͑/ion͒ at an interstitial ͑I͒ atom in the core structure of the OTD centers ͑Si-O i -I -O i -Si͒.…”