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Article Dans Une Revue Chemical Physics Letters Année : 2010

Beryllium chains interacting with Graphene Nanoislands: From anti-ferromagnetic to ferromagnetic ground state

Stefano Evangelisti
Antonio Monari
Thierry Leininger

Résumé

Electronic and magnetic properties of 1-D Beryllium chains interacting with Graphene nano-structures are studied at an ab initio level. In particular, linear Beryllium chains present significant dispersion interactions with Graphene Nanoislands. The magnetic properties of the 1-D Beryllium chains, are not destroyed by the interaction with the surface. However, the nature of the ground state depend strongly on the interaction: at long distance, the chain has an anti-ferromagnetic ground state; the ground state becomes ferromagnetic for distances from the surface shorter than about 3 Å. The behavior of the Beryllium system can shed light on the more general problem of the interaction of alkali-earth atoms in a 1-D arrangement and Graphene surfaces.

Dates et versions

hal-00872598 , version 1 (14-10-2013)

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Citer

Stefano Evangelisti, Antonio Monari, Thierry Leininger, Gian L. Bendazzoli. Beryllium chains interacting with Graphene Nanoislands: From anti-ferromagnetic to ferromagnetic ground state. Chemical Physics Letters, 2010, 496 (4-6), pp.306-309. ⟨10.1016/j.cplett.2010.07.065⟩. ⟨hal-00872598⟩
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