Single and paired point defects in a 2D Wigner crystal.
Using the path-integral Monte Carlo method, we calculate the energy to form single and pair vacancies and interstitials in a two-dimensional Wigner crystal of electrons. We confirm that the lowest energy point defects of a 2D electron Wigner crystal are interstitials, with a creation energy roughly 2/3 that of a vacancy. The formation energy of the defects goes to zero at melting, suggesting that point defects may be the melting mechanism and that the melting could be a continuous transition. In addition, we find that the interaction between defects is strongly attractive, so that most defects will exist as bound pairs.
Cândido
L
L
Loomis Laboratory of Physics and NCSA, University of Illinois at Urbana-Champaign, 1100 West Green Street, Urbana, Illinois 61801-3080, USA.
Phillips
P
P
Ceperley
D M
DM