Electronic structures of double hexagonal close-packed americium and the (0001) surface have been studied via full-potential all-electron density-functional calculations with a mixed APW+lo/LAPW basis. The electronic and geometric properties of bulk dhcp Am as well as quantum size effects in the...

The electronic and geometrical properties of bulk americium and square and hexagonal americium monolayers have been studied with the full-potential linearized augmented plane wave (FP-LAPW) method. The effects of several common approximations are examined: (1) non-spin polarization (NSP) vs....

The influence of correlation and temperature on the electronic structure of bulk and thin film GdN has been studied using the s-f model, which combines the one electron band structure with a many body procedure. The tight binding linear muffin tin orbital (TB-LMTO) method was used to obtain the...

Ab initio total energy calculations within the framework of density functional theory have been performed for atomic hydrogen and oxygen chemisorption on the (0001) surface of double hexagonal packed americium using a full-potential all-electron linearized augmented plane wave plus local...

By means of band structure calculations within the density functional theory and the generalized gradient approximation, we investigate the electronic structure of self-organized Pt nanowires on the Ge(001) surface. In particular, we deal with a novel one-dimensional surface state confined in...