TY - JOUR
T1 - Synthetic diamond and wurtzite structures self-assemble with isotropic pair interactions
AU - Rechtsman, Mikael C.
AU - Stillinger, Frank H.
AU - Torquato, Salvatore
N1 - Copyright:
Copyright 2008 Elsevier B.V., All rights reserved.
PY - 2007/3/26
Y1 - 2007/3/26
N2 - Using inverse statistical-mechanical optimization techniques, we have discovered isotropic pair interaction potentials with strongly repulsive cores that cause the tetrahedrally coordinated diamond and wurtzite lattices to stabilize, as evidenced by lattice sums, phonon spectra, positive-energy defects, and self-assembly in classical molecular dynamics simulations. These results challenge conventional thinking that such open lattices can only be created via directional covalent interactions observed in nature. Thus, our discovery adds to fundamental understanding of the nature of the solid state by showing that isotropic interactions enable the self-assembly of open crystal structures with a broader range of coordination number than previously thought. Our work is important technologically because of its direct relevance generally to the science of self-assembly and specifically to photonic crystal fabrication.
AB - Using inverse statistical-mechanical optimization techniques, we have discovered isotropic pair interaction potentials with strongly repulsive cores that cause the tetrahedrally coordinated diamond and wurtzite lattices to stabilize, as evidenced by lattice sums, phonon spectra, positive-energy defects, and self-assembly in classical molecular dynamics simulations. These results challenge conventional thinking that such open lattices can only be created via directional covalent interactions observed in nature. Thus, our discovery adds to fundamental understanding of the nature of the solid state by showing that isotropic interactions enable the self-assembly of open crystal structures with a broader range of coordination number than previously thought. Our work is important technologically because of its direct relevance generally to the science of self-assembly and specifically to photonic crystal fabrication.
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U2 - 10.1103/PhysRevE.75.031403
DO - 10.1103/PhysRevE.75.031403
M3 - Article
C2 - 17500697
AN - SCOPUS:33947635663
SN - 1539-3755
VL - 75
JO - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
JF - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
IS - 3
M1 - 031403
ER -