In this article, a detailed study of the recently synthesized MAX phase borides M 2 SB (M= Zr,
Hf and Nb) has been performed via first principles technique. Investigation of mechanical …

We have carried out a first-principles investigation of mechanical, electronic, thermodynamic
and optical properties of the recently predicted thermodynamically stable MAX phase boride …

MAX phase series materials have the excellent thermal, electrical and mechanical
properties and have great research potential. To achieve a comprehensive understanding of …

Abstract 212 MAX phase borides are new additions to the MAX phase family with enhanced
thermo-mechanical properties. In this article, first-principles calculations have been carried …

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 …

In the present study, the structural and hitherto uninvestigated mechanical (elastic stiffness
constants, machinability index, Cauchy pressure, anisotropy indices, brittleness/ductility …

BaPd 2 As 2, belonging to the 122 pnictide group, is an iron-free layered transition metal
arsenide which exhibits superconductivity at low temperature when realized in the ThCr 2 Si …

Through a first-principles investigation, we demonstrate the thermodynamic, dynamic, and
mechanical stability of Hf 2 GeC, Hf 2 GeN, and the new possible Hf 2 GeB MAX phase by …

Transition metal dichalcogenides (TMDCs) belong to technologically important compounds.
We have explored the structural, elastic, bonding, optoelectronic, and some thermo-physical …

The electronic structure, structural stability, mechanical, phonon, and optical properties of
Zr2GaC and Hf2GaC MAX phases have been investigated under high pressure using first …