[19a-B201-1~9] 15.7 Crystal characterization, impurities and crystal defects

11:15 AM - 11:30 AM JST(2:15 AM - 2:30 AM UTC)

[19a-B201-9] DFT study on peculiar defect behavior during crystal growth of P heavily doped CZ-Si

〇Kouji Sueoka¹, Yasuhito Narushima², Koutaro Koga², Kazuhisa Torigoe³, Hiroshi Horie³, Toshiaki Ono³, Naoya Nonaka³, Masataka Hourai³ (1.Okayama Pref. University, 2.SUMCO TECHXIV Corpation, 3.SUMCO Corporation)

Keywords:

crystal growth of P heavily doped CZ-Si,density functional theory,defect behaviour

The purpose of this study is to obtain knowledge about the defect formation mechanism in heavily P-doped Si crystal growth by first-principles calculation. In the case of [P] = 1E20/cc doping, (1) interstitial Pi is incorporated at [Pi] = 1E17/cc at the melting point and becomes supersaturated around 1100C, and (2) substitutional Ps becomes supersaturated near 600C, (3) formation energy of Ps4V is negative (-0.81 eV), and the equilibrium Ps4V concentration increases to 4E18/cc around 600C. In the presentation, a defect model during Si crystal growth is proposed on the basis of calculation results.