The inherent properties of MAX phases have made them candidate materials for various
technological applications. From this perspective, the present article reports the results of a …

Binary carbides demonstrate an attractive set of physical properties that are suitable for
numerous and diverse applications. In the present study, we have explored the structural …

NaSn 2 P 2 is a recently discovered superconducting system belonging to a particular class
of materials with van der Waals (vdW) structure. There is enormous interest in vdW …

Abstract The M 2 GaB (M= Ti, Zr, Mo, Hf) MAX phase borides were investigated in the
present study. We have calculated the fracture toughness, brittleness index, acoustic …

Mo 2 Ga 2 C is a new MAX phase with a stacking Ga-bilayer as well as possible unusual
properties. To understand this unique MAX phase structure and promote possible future …

In this study, we performed the first-principles calculations to study the 211 MAX phase
carbides: Nb2AC (A= Ga, Ge, Tl, Zn, P, In, Cd, and Al). The structural characteristics are in …

In the present study we have investigated the structural properties, electronic band
dispersion, elastic constants, acoustic behavior, phonon spectrum, optical properties, and a …

Binary metallic phosphide, Nb 2 P 5, belongs to important class of materials from the stand
point of engineering applications. Quite surprisingly, a large number of physical properties of …

This paper mainly reports structural, electronic, mechanical, optical, thermodynamic and
thermoelectric properties of ternary ZnSnN 2 and ZnMoN 2 nitrides. Calculations are carried …

First-principles density functional theory calculations were performed to assess the pressure
effect on structural, electronic, mechanical, thermal, and optical properties of cubic …