Ion irradiation is a key tool for controlling the nanostructure, phase content, and physical
properties of refractory ceramic thin films grown at low temperatures by magnetron …

We review results on the growth of metastable Ti 1− x Al x N alloy films by hybrid high-power
pulsed and dc magnetron co-sputtering (HIPIMS/DCMS) using the time domain to apply …

Atomic-scale control and manipulation of the microstructure of polycrystalline thin films
during kinetically limited low-temperature deposition, crucial for a broad range of industrial …

First-principles calculations are employed to determine the mechanical properties of rock-
salt structure binary and ternary transition metal nitrides, carbides, and carbonitrides from …

First-principles modeling of systems with localized d states is currently a great challenge in
condensed-matter physics. Density-functional theory in the standard local-density …

Lattice dynamics of body-centered cubic (bcc) V b-VI b group transition metals (TM), and B 1-
type monocarbides and mononitrides of III b-VI b transition metals are studied by means of …

Density functional methods were used to calculate binding and diffusion energies of
adatoms, molecules, and small clusters on TiN (001) and TiN (111) surfaces in order to …

Sustainable and energy-efficient ammonia production requires facile nitrogen reduction for
hydrogen preservation and inorganic fertilizers. A nitrogen reduction apparatus with optimal …

The last few years have seen a rise in the interest in early transition-metal and rare-earth
nitrides, primarily based on ScN and CrN, for energy harvesting by thermoelectricity and …

First principle calculations of point defect formation energies in group 3–6 transition metal
(Me) nitrides MeN x are employed to explain the thermodynamic reasons for the large …