arXiv subjects

Fabien Silly

Publications and source records attributed to Fabien Silly.

2 recordsLinked to original sources

arXiv2014

Out- versus in-plane magnetic anisotropy of free Fe and Co nanocrystals: tight-binding and first-principles studies

We report tight-binding (TB) and Density Function Theory (DFT) calculations of magnetocrystalline anisotropy energy (MAE) of free Fe (body centerd cubic) and Co (face centered cubic) slabs and nanocrystals. The nanocrystals are truncated square pyramids which can be obtained experimentally by deposition of metal on a SrTiO$_3$(001) substrate. For both elements our local analysis shows that the total MAE of the nanocrystals is largely dominated by the contribution of (001) facets. However, while the easy axis of Fe(001) is out-of-plane, it is in-plane for Co(001). This has direct consequences on the magnetic reversal mechanism of the nanocrystals. Indeed, the very high uniaxial anisotropy of Fe nanocrystals makes them a much better potential candidate for magnetic storage devices.

cond-mat.mtrl-sci↗

arXiv2008

Deriving molecular bonding from macromolecular self-assembly

Macromolecules can form regular structures on inert surfaces. We have developed a combined empirical and modeling approach to derive the bonding. From experimental scanning tunneling microscopy (STM) images of structures formed on Au(111) by melamine, by PTCDA, and by a 2:3 mixture of the two, we determine the molecular bonding morphologies. Within these bonding morphologies and recognizing the distinction between cohesive and adhesive molecular interactions we simultaneously simulated different molecular structures using a lattice Monte Carlo method. Within these bonding morphologies there is a distinction between cohesive and adhesive molecular interactions. We have simulated different molecular structures using a lattice Monte Carlo method.

cond-mat.mtrl-sci↗