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

Ken Nishihira, Shinji Munetoh, Teruaki Motooka

Research output: Contribution to journalConference article

2 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)60-64
Number of pages5
JournalJournal of Crystal Growth
Volume210
Issue number1
DOIs
Publication statusPublished - Mar 1 2000
Event8th International Conference on Defects-Recognition, Imaging and Physics in Semiconductors - Narita, Jpn
Duration: Sep 15 1999Sep 18 1999

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axial strain
liquid-solid interfaces
Crystallization
Crystal growth
Thermal gradients
Molecular dynamics
crystal growth
temperature gradients
molecular dynamics
Tensile strain
Liquids
Oxygen
Thermal expansion
thermal expansion
oxygen atoms
interstitials
Atoms
baths
trends
Defects

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Inorganic Chemistry
  • Materials Chemistry

Cite this

Uniaxial strain observed in solid/liquid interface during crystal growth from melted Si : A molecular dynamics study. / Nishihira, Ken; Munetoh, Shinji; Motooka, Teruaki.

In: Journal of Crystal Growth, Vol. 210, No. 1, 01.03.2000, p. 60-64.

Research output: Contribution to journalConference article

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