Global phase diagram for the honeycomb potential

Antti Pekka Hynninen, Athanassios Z. Panagiotopoulos, Mikael C. Rechtsman, Frank H. Stillinger, Salvatore Torquato

Research output: Contribution to journalArticle

8 Scopus citations

Abstract

We calculate the global phase diagram using classical statistical mechanics for an Isotropie pair potential that has been previously [Rechtsman et al., Phys. Rev. Lett. 95, 228301 (2005)] shown to produce the low-coordinated two-dimensional honeycomb crystal as the ground-state structure. Low-coordinated crystals are of practical interest because they have desirable photonic band-gap properties. The phase diagram is obtained from Heimholtz free energies calculated using thermodynamic integration and Monte Carlo simulations. Our results show that the honeycomb crystal remains stable in the global phase diagram even after temperature effects are taken fully into account. Other stable phases in the phase diagram are high and low density triangular phases and a fluid phase. We find no evidence of gas-liquid or liquid-liquid phase coexistence.

Original languageEnglish (US)
Article number024505
JournalJournal of Chemical Physics
Volume125
Issue number2
DOIs
StatePublished - Jul 24 2006

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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