Magnesium (Mg) has many unique properties suitable for applications in the fields of energy
conversion and storage. These fields presently rely on noble metals for efficient …

Magnesium‐based alloys are becoming a major industrial material for structural applications
because of their potential weight saving characteristics. All the commercial Mg alloys like AZ …

Cesium halide double-perovskites (Cs 2 AgCrX 6; X= Cl, Br, and I) have been investigated
for potential applications in optoelectronic devices. Density functional theory (DFT) has been …

Elastic constants (Cij's) of 25 compounds in the Mg–X (X= As, Ba, Ca, Cd, Cu, Ga, Ge, La,
Ni, P, Si, Sn, and Y) systems have been predicted by first-principles calculations with the …

Structural geometry, electronic band gaps, density of states, optical and mechanical
properties of double perovskite halides Cs _2 InBiX _6 (X= F, Cl, Br, I) are investigated using …

The thermodynamic stability of intermetallic compounds formed by most conventional
alloying elements in Mg alloys is not high, resulting in the poor heat resistance of Mg alloys …

First-principles method is performed to systematically investigates structural, phase stability
and mechanical properties for the Laves phases MCo 2 (M= Sc, Ti, Y, Zr, Nb, Hf, Ta) with …

Mg and its alloys have been extensively used in many fields given their low density and
extensive resources. However, their strength and plasticity cannot satisfy the requirements of …

Research into electrode materials for hosting Mg ions has also been very challenging, with
only a few materials identified that are able to react with Mg ions reversibly and have good …

To better clarify and understand the phase stability and elastic properties of stable Zr–Al
binary intermetallic compounds, the structural properties, phase stability, elastic properties …