Recently, we reported on the facile synthesis of a number of two-dimensional early transition
metal carbides and nitrides, derived from the MAX phases, that we labeled MXenes. Herein …

Nitride-based coatings are nowadays widely studied both from fundamental and
technological point of views due to their unique physical and mechanical properties. Among …

The first principles calculations based on density functional theory (DFT) were adopted to
investigate the stability, elastic constants, chemical bonding, Debye temperature and …

This review summarizes the phase stability in the group IVB (Ti‐C; Zr‐C; Hf‐C) and group
VB (V‐C; Nb‐C; Ta‐C) transition‐metal carbides. The order parameter functional (OPF) …

The structural, elastic and electronic properties of TiC, ZrC, HfC and TaC have been
investigated by first-principles calculations using the plane-wave pseudopotential method …

In this study, first-principle calculation is used to investigate the TiC (1 1 1)/TaC (1 1 1)
interface in terms of surface energy, work function, adhesion energy, and electronic …

We present the results of ab-initio study on the structural, elastic, thermodynamics, and
electronic properties of the nonmagnetic Lanthanum nitride (LaN) using the plane-wave …

The structure and mechanical properties of tantalum mononitride (TaN) are investigated at
high pressure from first-principles using the plane wave pseudopotential method within the …

The electronic and mechanical properties of 5d transition metal mononitrides from LaN to
AuN are systematically investigated by use of the density-functional theory. For each nitride …

Using a combination of density functional theory calculations and nanomechanical testing of
sputter-deposited, 110-oriented Ta 0.47 C 0.34 N 0.19 thin films, we show that non-metal …