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The structure and stability of atomic and molecular systems with van der Waals (vdW) bonding are often determined by the interplay between attractive dispersion interactions and repulsive interactions caused by electron confinement. Arising…

化学物理 · 物理学 2022-02-17 Ornella Vaccarelli , Dmitry V. Fedorov , Martin Stöhr , Alexandre Tkatchenko

We explain in depth the previously proposed theory of the coherent Van der Waals(cVdW) interaction - the counterpart of Van der Waals (VdW) force - emerging in spatially coherently fluctuating electromagnetic fields. We show that cVdW…

软凝聚态物质 · 物理学 2015-06-22 Igor M. Kulic , Miodrag L. Kulic

We show that the usual sum of $R^{-6}$ contributions from elements separated by distance $R$ can give \emph{qualitatively} wrong results for the electromagnetically non-retarded van der Waals interaction between non-overlapping bodies. This…

软凝聚态物质 · 物理学 2009-11-11 John F. Dobson , Angela White , Angel Rubio

In a recent paper, it was shown that, under the action of the lateral van der Waals (vdW) force due to a perfectly conducting corrugated surface, a neutral anisotropic polarizable particle in vacuum can be attracted not only to the nearest…

量子物理 · 物理学 2021-12-15 Lucas Queiroz , Edson C. M. Nogueira , Danilo T. Alves

Diffusion processes govern fundamental phenomena such as phase transformations, doping, and intercalation in van der Waals (vdW) bonded materials. Here, we quantify the diffusion dynamics of W atoms by visualizing the motion of individual…

The van der Waals dispersion interaction between two chiral molecules in the presence of arbirary magnetoelectric media is derived using perturbation theory. To be general, the molecular polarisabilities are assumed to be of electric,…

量子物理 · 物理学 2020-06-24 Hassan Safari , Pablo Barcellona , Stefan Yoshi Buhmann , Akbar Salam

The atomic dipole polarizability, $\alpha$, and the van der Waals (vdW) radius, $R_{\rm vdW}$, are two key quantities to describe vdW interactions between atoms in molecules and materials. Until now, they have been determined independently…

化学物理 · 物理学 2018-11-07 Dmitry V. Fedorov , Mainak Sadhukhan , Martin Stöhr , Alexandre Tkatchenko

Dispersion forces such as van der Waals forces between two microscopic particles, the Casimir--Polder forces between a particle and a macroscopic object or the Casimir force between two dielectric objects are well studied in vacuum.…

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…

介观与纳米尺度物理 · 物理学 2013-07-29 Anh D. Phan , Lilia M. Woods , The-Long Phan

Transistor miniaturization requires controlling gate leakage through ultrathin dielectrics and minimizing source/drain contact resistance. Although two-dimensional (2D) semiconductors offer excellent electrostatic control, their interfaces…

介观与纳米尺度物理 · 物理学 2026-04-24 Mahdi Pourfath , Tibor Grasser

We introduce a class of variational wavefunctions that capture the long-range interaction between neutral systems (atoms and molecules) without changing the diagonal of the density matrix of each monomer. The corresponding energy…

化学物理 · 物理学 2019-03-26 Derk P. Kooi , Paola Gori-Giorgi

Layered and nanotubular systems that are metallic or graphitic are known to exhibit unusual dispersive van der Waals (vdW) power laws under some circumstances. In this letter we investigate the vdW power laws of bulk and finite layered…

材料科学 · 物理学 2012-08-28 Tim Gould , Evan Gray , John F. Dobson

We present an approach for computing long-range van der Waals (vdW) interactions between complex molecular systems and arbitrarily shaped macroscopic bodies, melding atomistic treatments of electronic fluctuations based on density…

介观与纳米尺度物理 · 物理学 2017-07-05 Prashanth S. Venkataram , Jan Hermann , Alexandre Tkatchenko , Alejandro W. Rodriguez

We consider the interatomic van der Waals interaction energy between two neutral ground-state atoms moving in the vacuum space with the same uniform acceleration. We assume the acceleration orthogonal to their separation, so that their…

量子物理 · 物理学 2013-07-25 Antonio Noto , Roberto Passante

van der Waals interactions govern the physics of a plethora of molecular structures. It is well known that the leading term in the distance-based London expansion of the van der Waals energy for atomic and molecular dimers decays as…

化学物理 · 物理学 2017-11-22 Mireia Via-Nadal , Mauricio Rodríguez-Mayorga , Eduard Matito

Proper inclusion of van der Waals (vdW) interactions in theoretical simulations based on standard density functional theory (DFT) is crucial to describe the physics and chemistry of systems such as organic and layered materials. Many…

材料科学 · 物理学 2023-07-19 Jinwoo Park , Byung Deok Yu , Suklyun Hong

Van der Waals (vdW) materials offer new ways to assemble artificial electronic media with properties controlled at the design stage, by combining atomically defined layers into interfaces and heterostructures. Their potential for…

Sparse matter is characterized by regions with low electron density and its understanding calls for methods to accurately calculate both the van der Waals (vdW) interactions and other bonding. Here we present a first-principles density…

材料科学 · 物理学 2010-06-15 Elisa Londero , Elsebeth Schroder

Fractional Dirac materials (FDMs) feature a fractional energy-momentum relation $E(\vec{k}) \sim |\vec{k}|^{\alpha}$, where $\alpha \; (<1)$ is a real noninteger number, in contrast to that in conventional Dirac materials with $\alpha=1$.…

强关联电子 · 物理学 2023-07-11 Bitan Roy , Vladimir Juricic

The past few years has brought renewed focus on the physics behind the class of materials characterized by long-range interactions and wide regions of low electron density, sparse matter. There is now much work on developing the appropriate…

材料科学 · 物理学 2015-05-19 Elisa Londero , Elsebeth Schroder