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 …

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 …

Over the history of MAX phases, the MAX phases have been widely accepted by
researchers because of their distinctive features and its application. In the early 1960s …

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 structural, electronic, mechanical and thermodynamic properties of (Ti1− xMox) 2AlC
(0≤ x≤ 0.20) were explored using density functional theory. The obtained lattice constants …

The effects of M atomic species mixing on the structural, elastic, electronic, and
thermodynamic properties of newly synthesized MAX phase (Zr 1-x Ti x) 2 AlC (0≤ x≤ 1) …

A DFT study of the synthesized MAX phase Zr2SeC has been carried out for the first time to
explore its physical properties for possible applications in many sectors. The studied …

The ab-initio calculation has been used to investigate the physical properties of Sc–based
ternary MAX phases Sc 2 AX (A= Bi, Br; X= C, N, B), wherein Sc 2 BiN, Sc 2 BiB, and Sc 2 …