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      Silicene Structures on Silver Surfaces

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          Abstract

          In this paper we report on several structures of silicene, the analog of graphene for silicon, on the silver surfaces Ag(100), Ag(110) and Ag(111). Deposition of Si produces honeycomb structures on these surfaces. In particular, we present an extensive theoretical study of silicene on Ag(111) for which several recent experimental studies have been published. Different silicene structures were obtained only by varying the silicon coverage and/or its atomic arrangement. All the structures studied show that silicene is buckled, with a Si-Si nearest neighbor distance varying between 2.28 and 2.5 A{\deg} . Due to the buckling in the silicene sheet, the apparent (lateral) Si-Si distance can be as low as 1.89 A{\deg} . We also found that for a given coverage and symmetry, one may observe different scanning tunneling microscopy images corresponding to structures that differ by only a translation.

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          Electronic structure of two-dimensional crystals fromab initiotheory

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            Magnetic Correlations at Graphene Edges

            Magnetic zigzag edges of graphene are considered as a basis for novel spintronics devices despite the fact that no true long-range magnetic order is possible in one dimension. We study the transverse and longitudinal fluctuations of magnetic moments at zigzag edges of graphene from first principles. We find a high value for the spin wave stiffness \(D\) = 2100 meV \AA\(^2\) and a spin-collinear domain wall creation energy \(E_dw\) = 114 meV accompanied by low magnetic anisotropy. Above the crossover temperature \(T_x \approx\)10 K the spin correlation length \(\xi \propto T^{-1}\) limits the long-range magnetic order to ~1 nm at 300 K while below \(T_x\) it grows exponentially with decreasing temperature. We discuss possible ways of increasing the range of magnetic order and effects of edge roughness on it.
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              Ab initiocalculations for a hypothetical material: Silicon nanotubes

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                Author and article information

                Journal
                27 June 2012
                Article
                10.1088/0953-8984/24/31/314211
                1206.6246
                2313fa9a-30e9-4e3f-8341-beb59dccd232

                http://arxiv.org/licenses/nonexclusive-distrib/1.0/

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                To be published in in J. Phys.: Condens. Matter "Special Issue on Ultrathin layers of graphene, h-BN and other honeycomb structures"
                cond-mat.mtrl-sci physics.atom-ph

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