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Use of dielectric functions in the theory of dispersion forces Je-Luen Li,1,2
 

Summary: Use of dielectric functions in the theory of dispersion forces
Je-Luen Li,1,2
Jaehun Chun,3
Ned S. Wingreen,2,4
Roberto Car,1
Ilhan A. Aksay,3
and Dudley A. Saville3
1Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA
2NEC Laboratories America, Incorporated, 4 Independence Way, Princeton, New Jersey 08540, USA
3Department of Chemical Engineering, Princeton University, Princeton, New Jersey 08544, USA
4Department of Molecular Biology, Princeton University, Princeton, New Jersey 08544, USA
Received 23 August 2004; revised manuscript received 30 November 2004; published 21 June 2005
The modern theory of dispersion forces uses macroscopic dielectric functions as a central ingredient.
We reexamined the formalism and found that at separation distance 2 nm the full dielectric function ,k
is needed. The use of ,k results in as much as 30% reduction of the calculated Hamaker constants reported
in the current literature. At larger distances, the theory reduces to the traditional method, which uses dielectric
functions in the long-wavelength limit. We illustrate the formalism using the example of interaction between
two graphite slabs. This example is of importance for intercalation and exfoliation of graphite and for the use
of exfoliated graphite in composite materials. The formalism can also be extended to study anisotropic van der
Waals interactions.

  

Source: Aksay, Ilhan A. - Department of Chemical Engineering, Princeton University

 

Collections: Materials Science