UCL Discovery
UCL home » Library Services » Electronic resources » UCL Discovery

Crystal-liquid phase relations in silicon at negative pressure

Wilson, M; McMillan, PF; (2003) Crystal-liquid phase relations in silicon at negative pressure. PHYS REV LETT , 90 (13) , Article 135703. 10.1103/PhysRevLett.90.135703. Green open access

[thumbnail of 188488.pdf]
Preview
PDF
188488.pdf
Available under License : See the attached licence file.

Download (632kB)

Abstract

The stable and metastable melting relations for silicon in the diamond and Si-136 clathrate-II structures at positive and negative pressures are calculated by molecular dynamics computer simulation. The simulated liquid and crystalline clathrates undergo cavitation at approximately -3 and -12 GPa. Between these limits a stretched crystal would transform directly to gas in response to a mechanical instability. Most importantly, the clathrate-II crystal becomes thermodynamically stable over the diamond at negative pressure below -1 GPa at the melting point. Si-136 should then crystallize from a slightly stretched liquid, which would have the same volume as a diamond-structure crystal.

Type: Article
Title: Crystal-liquid phase relations in silicon at negative pressure
Open access status: An open access version is available from UCL Discovery
DOI: 10.1103/PhysRevLett.90.135703
Publisher version: http://dx.doi.org/10.1103/PhysRevLett.90.135703
Language: English
Additional information: © 2003 The American Physical Society
Keywords: MOLECULAR-DYNAMICS SIMULATIONS, DENSITY FRAMEWORK FORM, COMPUTER-SIMULATION, BAND-GAP, INTERFACE, STRESS, GROWTH, FILMS, SI, SPECTROSCOPY
UCL classification: UCL
UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/1400717
Downloads since deposit
182Downloads
Download activity - last month
Download activity - last 12 months
Downloads by country - last 12 months

Archive Staff Only

View Item View Item