High Density Amorphous Form and Polyamorphic Transformations of Silicon

Tetsuya Morishita
Phys. Rev. Lett. 93, 055503 – Published 30 July 2004

Abstract

Polyamorphic transformations of silicon have been investigated by constant-pressure first-principles molecular-dynamics simulations. By pressurizing a normal amorphous Si with tetrahedral coordination, a new high density amorphous (HDA) form that has a strong resemblance to HDA water is obtained. We find that the HDA form can be also obtained through vitrification of liquid Si under pressure. Both HDA and liquid Si contain deformed tetrahedral configurations with interstitial atoms. These findings indicate that HDA Si is directly connected with liquid Si, which is of particular importance in understanding phase relations of polyamorphs of Si.

  • Figure
  • Figure
  • Figure
  • Figure
  • Received 23 March 2004

DOI:https://doi.org/10.1103/PhysRevLett.93.055503

©2004 American Physical Society

Authors & Affiliations

Tetsuya Morishita*

  • Department of Applied Physics, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo, 113-8656, Japan, and Research Institute for Computational Sciences (RICS), National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan†

  • *Electronic address: t-morishita@aist.go.jp
  • Electronic address: http://staff.aist.go.jp/t-morishita

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 93, Iss. 5 — 30 July 2004

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review Letters

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×