Realistic interatomic potential for MD simulations

The coefficients of interatomic potential of simple form Exp-6 for neon are obtained. Repulsive part is calculated ab-initio in the Hartree-Fock approximation using the basis of atomic orbitals orthogonalized exactly on different lattice sites. Attractive part is determined empirically using single fitting parameter. The potential obtained describes well the equation of state and elastic moduli of neon crystal in wide range of interatomic distances and it is appropriate for molecular dynamic simulations of high temperature properties and phenomena in crystals and liquids.Comment: MikTex v.2.1 (AMS-TEX),11 pages, 3 EPS figure

Symmetric achromatic low-beta collider interaction region design concept

We present a new symmetry-based concept for an achromatic low-beta collider interaction region design. A specially-designed symmetric Chromaticity Compensation Block (CCB) induces an angle spread in the passing beam such that it cancels the chromatic kick of the final focusing quadrupoles. Two such CCBs placed symmetrically around an interaction point allow simultaneous compensation of the 1st-order chromaticities and chromatic beam smear at the IP without inducing significant 2nd-order aberrations to the particle trajectory. We first develop an analytic description of this approach and explicitly formulate 2nd-order aberration compensation conditions at the interaction point. The concept is next applied to develop an interaction region design for the ion collider ring of an electron-ion collider. We numerically evaluate performance of the design in terms of momentum acceptance and dynamic aperture. The advantages of the new concept are illustrated by comparing it to the conventional distributed-sextupole chromaticity compensation scheme.Comment: 12 pages, 17 figures, to be submitted to Phys. Rev. ST Accel. Beam

Electric Field Effect in Atomically Thin Carbon Films

We report a naturally-occurring two-dimensional material (graphene that can be viewed as a gigantic flat fullerene molecule, describe its electronic properties and demonstrate all-metallic field-effect transistor, which uniquely exhibits ballistic transport at submicron distances even at room temperature

Interplay between lattice, orbital, and magnetic degrees of freedom in the chain-polymer Cu(II) breathing crystals

The chain-polymer Cu(II) breathing crystals C21H19CuF12N4O6 were studied using the x-ray diffraction and ab initio band structure calculations. We show that the crystal structure modification at T=146 K, associated with the spin crossover transition, induces the changes of the orbital order in half of the Cu sites. This in turn results in the switch of the magnetic interaction sign in accordance with the Goodenough-Kanamori-Andersen theory of the coupling between the orbital and spin degrees of freedom.Comment: 6 pages, 7 figure