Use of dielectric functions in the theory of dispersion forces

被引:41
作者
Li, JL [1 ]
Chun, J
Wingreen, NS
Car, R
Aksay, IA
Saville, DA
机构
[1] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA
[2] NEC Corp Ltd, Lab Amer, Princeton, NJ 08540 USA
[3] Princeton Univ, Dept Chem Engn, Princeton, NJ 08544 USA
[4] Princeton Univ, Dept Mol Biol, Princeton, NJ 08544 USA
关键词
D O I
10.1103/PhysRevB.71.235412
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The modern theory of dispersion forces uses macroscopic dielectric functions epsilon(omega) as a central ingredient. We reexamined the formalism and found that at separation distance < 2 nm the full dielectric function epsilon(omega,k) is needed. The use of epsilon(omega,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.
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页数:6
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共 28 条
[1]  
ABDALA A, UNPUB
[2]   Optical properties of graphite from first-principles calculations [J].
Ahuja, R ;
Auluck, S ;
Wills, JM ;
Alouani, M ;
Johansson, B ;
Eriksson, O .
PHYSICAL REVIEW B, 1997, 55 (08) :4999-5005
[3]  
BARASH YS, 1989, DIELECTRIC FUNCTION
[4]   Hamaker constants of inorganic materials [J].
Bergstrom, L .
ADVANCES IN COLLOID AND INTERFACE SCIENCE, 1997, 70 :125-169
[5]   Template-directed assembly of a de novo designed protein [J].
Brown, CL ;
Aksay, IA ;
Saville, DA ;
Hecht, MH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2002, 124 (24) :6846-6848
[6]   MANY-BODY OPTICS .5. VIRTUAL-MODE THEORY, AND PHENOMENOLOGICAL BINDING ENERGIES IN COMPLEX-DIELECTRIC-CONSTANT APPROXIMATION [J].
BULLOUGH, RK .
JOURNAL OF PHYSICS PART A GENERAL, 1970, 3 (06) :751-&
[7]   FORCES BETWEEN PARALLEL DIELECTRIC SURFACES [J].
CRAIG, RA .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (07) :2988-2993
[8]   Calculations of van der Waals forces in 2-dimensionally anisotropic materials and its application to carbon black [J].
Dagastine, RR ;
Prieve, DC ;
White, LR .
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2002, 249 (01) :78-83
[9]   VAN DER WAALS FORCES IN ELECTROLYTES [J].
DAVIES, B ;
NINHAM, BW .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (12) :5797-&
[10]   MACROSCOPIC DIELECTRIC TENSOR AT CRYSTAL-SURFACES [J].
DELSOLE, R ;
FIORINO, E .
PHYSICAL REVIEW B, 1984, 29 (08) :4631-4645