Palladium hydride was discovered more than 150 years ago and remains one of the most-
studied interstitial metal hydrides because of the richness of its physical behaviours, which …

We report a self-consistent, all-electron, local-density-functional study of the electronic
structure of paramagnetic fcc palladium. The linear combination of Gaussian orbitals method …

We investigate the electronic structure and elastic properties of TiB2 and ZrB2. The
electronic properties are computed within the framework of density functional theory (DFT) …

Covellite, the CuS, is a unique compound owing to both superconducting and metallic
behavior at different temperatures. We model and characterize the elastic, electronic and …

The isotropic Compton profile of BeO has been measured using a γ-ray Compton
spectrometer which employs a 5 Ci annular Am 241 source. The measurement is compared …

In this work, we present and discuss the magnetic properties of relatively low silver content
Pd 100-x Ag x nanoalloys (x= 0, 2, 5, 10) obtained by a low cost solvent-assisted …

Here we propose a semi-empirical approach to describe with good accuracy the electron
momentum densities and Compton profiles for a wide range of pure crystalline metals. In the …

In the present work, to determine the effective atomic number of alloys such as Fe 0.5 Cr 0.5,
Fe 0.7 Cr 0.3, Fe 0.8 Cr 0.2, Fe 0.9 Cr 0.1, Fe 0.2 Ni 0.8, Fe 0.3 Ni 0.7, Fe 0.5 Ni 0.5, Fe 0.6 …

In this paper, we report ab initio studies of structural, electronic and elastic properties of a II-
V group semiconductor compound, Zn 3 As 2 along with its experimental Compton profile …

The partial atomic volume of hydrogen, v H, is a fundamentally important thermodynamic
parameter of interstitial metal hydrides in which dissociated H occupies interstices in the …