In recent days, study of topological Weyl semimetals have become an active branch of
physics and materials science because they led to realization of the Weyl fermions and …

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 …

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 …

Abstract The Zr 2 AC MAX phases are a family of ternary carbides ceramics that possess
layered structures and exhibiting exceptional properties resulting from combining the most …

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 …

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

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 …

This study explored the physical properties of MAX phase borides, M 2 GaB (M= Sc, V, Nb,
Ta), aided by the density functional theory (DFT) for the first time. The optimized lattice …

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