Uniaxial strain observed in solid/liquid interface during crystal growth from melted Si: A molecular dynamics study

Ken Nishihira, Shinji Munetoh, Teruaki Motooka

研究成果: Contribution to journalConference article査読

2 被引用数 (Scopus)

抄録

We have performed molecular dynamics (MD) simulations of crystal growth from melted Si using a MD cell immersed in a thermal bath with various temperature gradients. Based on the analysis of changes in the distance between the (0 0 1) atomic planes, it was found that uniaxial strain was induced along the [0 0 1] direction near the solid/liquid interface. The induced strain is essentially the same as equilibrium thermal expansion corresponding to the local temperature when the temperature gradient is low. However, as the temperature gradient increases, the tensile strain becomes smaller than equilibrium thermal expansion and it gradually changes to being compressive. This is consistent with the experimental trend that interstitial-type grown-in defects are formed in higher-temperature gradients. We have also examined oxygen effects on the strain by introducing an oxygen atom in melted Si and found that the oxygen atom is taken into the interstitial site of crystal Si resulting in an enhancement of the tensile strain.

本文言語英語
ページ(範囲)60-64
ページ数5
ジャーナルJournal of Crystal Growth
210
1
DOI
出版ステータス出版済み - 3 1 2000
イベント8th International Conference on Defects-Recognition, Imaging and Physics in Semiconductors - Narita, Jpn
継続期間: 9 15 19999 18 1999

All Science Journal Classification (ASJC) codes

  • 凝縮系物理学
  • 無機化学
  • 材料化学

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