In the 1988 edition of Nature's' News and Views', J Maddox wrote that'one of the continuing
scandals in physical sciences is that it remains in general impossible to predict the structure …

We investigated surface properties of metals by performing first-principles calculations. A
systematic database was established for the surface relaxation, surface energy (γ), and …

Nanomaterials–magnetic nanoparticles in particular have been shown to have significant
potential in cancer theranostics, where iron oxides are commonly the materials of choice …

The hexagonal boron nitride (hBN) monolayer on the Cu (111) surface has recently been
considered an example of an extremely weak hBN/metal interaction, as indicated, eg, from …

We determine here the most stable structures of a Pt deposit onto a Co (0001) substrate, in
the submonolayer range, by means of tight-binding quenched-molecular-dynamics …

Though correlations between surface structure and magnetism are evident, surface structure
determinations of ultrathin magnetic films in the crystallographic sense are available only for …

While a perfect hcp (0001) surface has threefold symmetry, the diffraction patterns commonly
obtained are sixfold symmetric. This apparent change in symmetry occurs because on a …

The combination of low-energy electron diffraction intensity analyses and scanning
tunneling microscopy was used to investigate the morphology and atomic structure of thin Fe …

With MEAM, the surface energies of three kinds of representative surfaces,(h0l),(hhl) and
(hk0) belong to [010],[11¯ 0] and [001] crystal band, respectively, have been calculated for …

An expression for anisotropic interfacial energy of hexagonal close-packed metals has been
formulated which is able to reproduce published data obtained using the modified …