Global phase diagram for the honeycomb potential.
We calculate the global phase diagram using classical statistical mechanics for an isotropic 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 Helmholtz 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.
Hynninen
Antti-Pekka
AP
Department of Chemical Engineering, Princeton University, Princeton, NJ 08544, USA.
Panagiotopoulos
Athanassios Z
AZ
Rechtsman
Mikael C
MC
Stillinger
Frank H
FH
Torquato
Salvatore
S