Using the linear response-based constrained local density approximation (cLDA) approach
we systematically computed the Hubbard U parameters for series of 3 d, 4 d, and 5 d …

Some Bravais lattices have a particular geometry that can slow down the motion of Bloch
electrons by pre-localization due to the band-structure properties. Another known source of …

Bimetallic platinum-based transition-metal (PtTM, TM= Fe, Co, Ni, Cu, and Zn) nanoclusters
are potential candidates to improve and reduce the cost of Pt-based catalysts; however, our …

Recent trend of the X-ray magnetic circular dichroism (XMCD) spectroscopy-based
technique and the related scientific topics at SPring-8 are reviewed. At the third-generation …

This paper presents results of a comprehensive study from first principles into the properties
of Ni, Pd, Rh, and Ir crystals under pressure. We calculated elastic constants, phonon …

The geometric, electronic and magnetic properties of the three metallic cobalt phases: hcp
(α), fcc (β), and epsilon (ɛ) have been theoretically studied using periodic density functional …

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 article presents a study which investigates the effect of the volume of binary compound
in cobalt-bismuth (Co-Bi) system. The study involves the applications of high pressure with …

Hydrogen (H) and silicon (Si) are considered as important light elements for the planetary
cores. A large amount of H is able to alloy with pure Fe metal at high pressures. Si can also …

Structural, electronic and magnetic properties of the cobalt (Co) adsorption and
incorporation on the AlN (0001)-(2× 2) surface have been investigated using spin-polarized …