Abstract: Single crystals with two different morphologies, black and brown, of C60 with about 12% C70 have been studied by synchrotron X-ray diffraction. Integrated intensities from 8 reflections show that the charge distribution of the C60 cluster is shell-like giving rise to an oscillatory behaviour in the diffracted intensities. From the intensities, the distance between diametrically opposite carbon atoms has been determined to be (7.24 +/- 0.22) angstrom. The thickness of the charge distribution of the shell can be estimated as 3.06 angstrom and the cavity within a C60 cluster to have a diameter of about 4.18 angstrom. The finite longitudinal width of the diffraction peaks from black crystals indicates a lack of long-range crystalline order. The rocking curves are about 7-degrees broad and depict an unusually smooth behaviour. This may be indicative of a glassy or hexatic phase. High-resolution electron microscopy allows small crystallites with a relatively well-defined orientation relationship to be identified. In contrast, brown crystals have long-range order.

Abstract: We extend the unsymmetrized self-consistent-field method (USF) for anharmonic crystals to layered non-Bravais crystals to investigate structural, dynamical and thermodynamic properties of a free-standing graphene monolayer. In this theory, the main anharmonicity of the crystal lattice has been included and the quantum corrections are taken into account in an h-expansion for the one-particle density matrix. The obtained result for the thermal expansion coefficient (TEC) of graphene shows a strong temperature dependence and agrees with experimental results by Bao et al. (Nat. Nanotechnol., 4 (2009) 562). The obtained value of TEC at room temperature (300 K) is -6.4 x 10(- 6) K- 1 and it becomes positive for T > T-alpha = 358K. We find that quantum effects are significant for T < 1000 K. The interatomic distance, effective amplitudes of the graphene lattice vibrations, adiabatic and isothermal bulk moduli, isobaric and isochoric heat capacities are also calculated and their temperature dependences are determined. Copyright (C) EPLA, 2014

Abstract: Charge carriers in single and multilayered graphene systems behave as chiral particles due to the particular lattice symmetry of the crystal. We show that the interplay between the meta-material properties of graphene multilayers and the pseudospinorial properties of the charge carriers result in the occurrence of Klein and anti-Klein tunneling for rhombohedral stacked multilayers. We derive an algebraic formula predicting the angles at which these phenomena occur and support this with numerical calculations for systems up to four layers. We present a decomposition of an arbitrarily stacked multilayer into pseudospin doublets that have the same properties as rhombohedral systems with a lower number of layers. Copyright (C) EPLA, 2013