Conventional magnetic order in a material requires the partially filled d or f bands. The
exchange interactions between the electrons in these partially filled bands give rise to a …

Scanning tunnelling microscopy and break-junction experiments realize metallic and
molecular nanocontacts that act as ideal one-dimensional channels between macroscopic …

This is a book describing electronic structure theory and application within the framework of
a methodology implemented in the computer code RSPt. In 1986, when the code that was to …

The tip of a low-temperature scanning tunneling microscope is brought into contact with
individual cobalt atoms adsorbed on Cu (100). A smooth transition from the tunneling regime …

We report on the implementation of the Wannier Functions (WFs) formalism within the full-
potential linearized augmented plane-wave method (FLAPW), suitable for bulk, film, and one …

The formation dynamics of stable gold (Au) wires of single-atom width during tensile
deformation of the nanometer-sized Au contacts was observed in situ at room temperature …

The magnetic and electronic properties of both linear and zigzag atomic chains of all 3 d
transition metals have been calculated within density functional theory with the generalized …

We have investigated Pd nanowires theoretically, and found that, unlike either metallic or
free atomic Pd, they exhibit Hund's rule magnetism. In long, monostrand nanowires, we find …

Pt is often considered to be an exchange-enhanced paramagnetic material, in which the
Stoner criterion for ferromagnetism is nearly satisfied and, thus, external stimuli may induce …

Using the mechanically controlled break junction technique at low temperatures and under
cryogenic vacuum conditions we have studied atomic contacts of several magnetic (Fe, Co …