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We have investigated atom-nanotube van der Waals (vdW) coupling in atomically doped carbon nanotubes (CNs). Our approach is based on the perturbation theory for degenerated atomic levels, thus accounting for both weak and strong atom-vacuum-field coupling. The vdW energy is described by an integral equation represented in terms of the local photonic density of states (DOS). By solving it numerically, we demonstrate the inapplicability of standard weak-coupling-based vdW interaction models in a close vicinity of the CN surface where the local photonic DOS effectively increases, giving rise to an atom-field coupling enhancement. An inside encapsulation of atoms into the CN has been shown to be energetically more favorable than their outside adsorption by the CN surface. If the atom is fixed outside the CN, the modulus of the vdW energy increases with the CN radius provided that the weak atom-field coupling regime is realized (i.e., far enough from the CN). For inside atomic position, the modulus of the vdW energy decreases with the CN radius, representing a general effect of the effective interaction area reduction with lowering the CN curvature., Comment: 15 pages, 5 figures

We report a strictly non-exponential spontaneous decay dynamics of an excited two-level atom placed inside or at different distances outside a carbon nanotube (CN). This is the result of strong non-Markovian memory effects arising from the rapid variation of the photonic density of states with frequency near the CN. The system exhibits vacuum-field Rabi oscillations, a principal signature of strong atom-vacuum-field coupling, when the atom is close enough to the nanotube surface and the atomic transition frequency is in the vicinity of the resonance of the photonic density of states. Caused by decreasing the atom-field coupling strength, the non-exponential decay dynamics gives place to the exponential one if the atom moves away from the CN surface. Thus, atom-field coupling and the character of the spontaneous decay dynamics, respectively, may be controlled by changing the distance between the atom and CN surface by means of a proper preparation of atomically doped CNs. This opens routes for new challenging nanophotonics applications of atomically doped CN systems as various sources of coherent light emitted by dopant atoms., Comment: 10 pages, 4 figures

We report a strictly non-exponential spontaneous decay dynamics of an excited two-level atom placed inside or at different distances outside a carbon nanotube. This is the result of strong non-Markovian memory effects arising from the rapid frequency variation of the photonic density of states near the nanotube. The system exhibits vacuum-field Rabi oscillations when the atom is close enough to the nanotube surface and the atomic transition frequency is in the vicinity of the resonance of the photonic density of states., Comment: 4 pages, 2 figures

We propose a two-stage mechanism for the rotational surface disordering phase transition of a molecular crystal, as realized in C$_{60}$ fullerite. Our study, based on Monte Carlo simulations, uncovers the existence of a new intermediate regime, between a low temperature ordered $(2 \times 2)$ state, and a high temperature $(1 \times 1)$ disordered phase. In the intermediate regime there is partial disorder, strongest for a subset of particularly frustrated surface molecules. These concepts and calculations provide a coherent understanding of experimental observations, with possible extension to other molecular crystal surfaces., Comment: 4 pages, 2 figures

Most of the works devoted so far to the electronic band structure of multiwall nanotubes have been restricted to the case where the individual layers have the same helicity. By comparison, much less is known on the electronic properties of multiwall nanotubes that mix different helicities. These are interesting systems, however, since they can be composed of both metallic and semiconducting layers. For the present work, tight-binding calculations were undertaken for polychiral two-layer nanotubes such as (9,6)@(15,10), (6,6)@(18,2), and others. The recursion technique was used to investigate how the densities of states of the individual layers are affected by the intertube coupling. Constant-current STM images were also calculated for these systems. The result obtained is that the image of a two-wall nanotube is pretty much the same as the one of the isolated external layer. It is only in the case of monochiral, commensurate structures like (5,5)@(10,10) that interlayer effects can be seen on the STM topography., Comment: 12 pages plus 6 figures included in the postscript file

The Born effective charge tensors of Barium Titanate have been calculated for each of its 4 phases. Large effective charges of Ti and O, also predicted by shell model calculations and made plausible by a simplified model, reflect the partial covalent character of the chemical bond. A band by band decomposition confirms that orbital hybridization is not restricted to Ti and O atoms but also involves Ba which appears more covalent than generally assumed. Our calculations reveal a strong dependence of the effective charges on the atomic positions contrasting with a relative insensitivity on isotropic volume changes., Comment: 13 pages