MAX phases are a family of ternary carbide or nitride ceramics possessing a layered crystal
structure and, due to their chemical bonds having a mixed covalent-ionic-metallic nature …

Early transition metal borides (MAB‐phases) are extensively investigated due to their
excellent mechanical and tribological properties. These characteristics of ternary transition …

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 …

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

In this study, structural, mechanical, electronic, dynamic, thermodynamic and hydrogen
storage properties of MgX 3 H 8 (X= Sc, Ti, Zr) were investigated by means of density …

Although TM 2 AlC is a promising high-temperature material, the relationship between the
mechanical and thermodynamic properties of TM 2 AlC is unknown. In particular, the …

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 …

The development of new metal hydrides depends mainly on the design and theoretical
exploration of these materials. Using density functional theory is an effective method to …

Abstract Structural, electronic, elastic, vibrational, thermodynamic, and optical properties of
Mg 2 XH 4 (X= Ni, Ru) compounds were investigated using density functional theory in the …

In the recent times, the advances of lead-free halide perovskites ever-growing in the broad
range of solar panels and optoelectronic potential device applications. In view of its …