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Register a new userA general theory for the van der Waals interactions in colloidal systems based on fluctuational electrodynamics
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Vassilios Yannopapas
Publication date
2007
fields
Physics
and research's language is
English
Authors
Vassilios Yannopapas
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A rigourous theory for the determination of the van der Waals interactions in colloidal systems is presented. The method is based on fluctuational electrodynamics and a multiple-scattering method which provides the electromagnetic Greens tensor. In particular, expressions for the Greens tensor are presented for arbitrary, finite, collections of colloidal particles, for infinitely periodic or defected crystals as well as for finite slabs of crystals. The presented formalism allows for {it ab initio} calculations of the vdW interactions is colloidal systems since it takes fully into account retardation, many-body, multipolar and near-fields effects.
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We present an approach to describing fluctuational electrodynamic (FED) interactions, particularly van der Waals (vdW) interactions as well as radiative heat transfer (RHT), between material bodies of vastly different length scales, allowing for going between atomistic and continuum treatments of the response of each of these bodies as desired. Any local continuum description of electromagnetic (EM) response is compatible with our approach, while atomistic descriptions in our approach are based on effective electronic and nuclear oscillator degrees of freedom, encapsulating dissipation, short-range electronic correlations, and collective nuclear vibrations (phonons). While our previous works using this approach have focused on presenting novel results, this work focuses on the derivations underlying these methods. First, we show how the distinction between atomic and macroscopic bodies is ultimately somewhat arbitrary, as formulas for vdW free energies and RHT look very similar regardless of how the distinction is drawn. Next, we demonstrate that the atomistic description of material response in our approach yields EM interaction matrix elements which are expressed in terms of analytical formulas for compact bodies or semianalytical formulas based on Ewald summation for periodic media; we use this to compute vdW interaction free energies as well as RHT powers among small biological molecules in the presence of a metallic plate as well as between parallel graphene sheets in vacuum, showing strong deviations from conventional macroscopic theories due to the confluence of geometry, phonons, and EM retardation effects. Finally, we propose formulas for efficient computation of FED interactions among material bodies in which those that are treated atomistically as well as those treated through continuum methods may have arbitrary shapes, extending previous surface-integral techniques.
A scheme within density functional theory is proposed that provides a practical way to generalize to unrestricted geometries the method applied with some success to layered geometries [H. Rydberg, et al., Phys. Rev. Lett. 91, 126402 (2003)]. It includes van der Waals forces in a seamless fashion. By expansion to second order in a carefully chosen quantity contained in the long range part of the correlation functional, the nonlocal correlations are expressed in terms of a density-density interaction formula. It contains a relatively simple parametrized kernel, with parameters determined by the local density and its gradient. The proposed functional is applied to rare gas and benzene dimers, where it is shown to give a realistic description.
The van der Waals interactions between two parallel graphitic nanowiggles (GNWs) are calculated using the coupled dipole method (CDM). The CDM is an efficient and accurate approach to determine such interactions explicitly by taking into account the discrete atomic structure. Our findings show that the van der Waals forces vary from attraction to repulsion as nanoribbons move along their lengths with respect to each other. This feature leads to a number of stable and unstable positions of the system during the movement process. These positions can be tuned by changing the length of GNW. Moreover, the influence of the thermal effect on the van der Waals interactions is also extensively investigated. This work would give good direction for both future theoretical and experimental studies.
Two-dimensional (2D) materials exhibit a number of improved mechanical, optical, electronic properties compared to their bulk counterparts. The absence of dangling bonds in the cleaved surfaces of these materials allows combining different 2D materials into van der Waals heterostructures to fabricate p-n junctions, photodetectors, 2D-2D ohmic contacts that show unexpected performances. These intriguing results are regularly summarized in comprehensive reviews. A strategy to tailor their properties even further and to observe novel quantum phenomena consists in the fabrication of superlattices whose unit cell is formed either by two dissimilar 2D materials or by a 2D material subjected to a periodical perturbation, each component contributing with different characteristics. Furthermore, in a 2D materials-based superlattice, the interlayer interaction between the layers mediated by van der Waals forces constitutes a key parameter to tune the global properties of the superlattice. The above-mentioned factors reflect the potential to devise countless combinations of van der Waals 2D materials based superlattices. In the present feature article, we explain in detail the state-of-the-art of 2D materials-based superlattices and we describe the different methods to fabricate them, classified as vertical stacking, intercalation with atoms or molecules, moire patterning, strain engineering and lithographic design. We also aim to highlight some of the specific applications for each type of superlattices.
Van der Waals interactions between two neutral but polarizable systems at a separation $R$ much larger than the typical size of the systems are at the core of a broad sweep of contemporary problems in settings ranging from atomic, molecular and condensed matter physics to strong interactions and gravity. We reexamine the dispersive van der Waals interactions between two hydrogen atoms. The novelty of the analysis resides in the usage of nonrelativistic EFTs of QED. In this framework, the van der Waals potential acquires the meaning of a matching coefficient in an EFT suited to describe the low energy dynamics of an atom pair. It may be computed systematically as a series in $R$ times some typical atomic scale and in the fine structure constant $alpha$. The van der Waals potential gets short range contributions and radiative corrections, which we compute in dimensional regularization and renormalize here for the first time. Results are given in $d$ spacetime dimensions. One can distinguish among different regimes depending on the relative size between $1/R$ and the typical atomic bound state energy $malpha^2$. Each regime is characterized by a specific hierarchy of scales and a corresponding tower of EFTs. The short distance regime is characterized by $1/R gg malpha^2$ and the LO van der Waals potential is the London potential. We compute also NNNLO corrections. In the long distance regime we have $1/Rll malpha^2$. In this regime, the van der Waals potential contains contact terms, which are parametrically larger than the Casimir-Polder potential that describes the potential at large distances. In the EFT the Casimir-Polder potential counts as a NNNLO effect. In the intermediate distance regime, $1/Rsim malpha^2$, a significantly more complex potential is obtained which we compare with the two previous limiting cases. We conclude commenting on the hadronic van der Waals case.
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