Heusler alloys, discovered serendipitously at the beginning of the twentieth century, have
emerged in the twenty-first century as exciting materials for numerous remarkable functional …

Heusler compounds, initially discovered by Fritz Heusler more than a century ago, have
grown into a family of more than 1,000 compounds, synthesized from combinations of more …

We present first-principles density functional calculations of the electronic structure,
magnetism, and structural stability of 378 XYZ half-Heusler compounds (with X= Cr, Mn, Fe …

Based on high-throughput density functional theory calculations, we performed a systematic
screening for spin-gapless semiconductors (SGSs) in quaternary Heusler alloys XX′ YZ (X …

In recent years, spin-gapless semiconductors (SGSs) have received considerable interest in
the fields of condensed matter physics and materials sciences due to their potential …

In the present work, we investigate the structural, elastic, optical, and electronic properties of
Ba2MBiO6 (M= Sm, Tb) oxide double perovskites, using Density Functional Theory within …

Cobalt (Co) is one of the most important 3d transition metal elements used in the
development of magnetic materials, especially in hard magnetic materials, from the early Co …

Heusler compounds are a large group of intermetallic compounds with over 1000 members
with similar crystal structures having a vast array of tunable properties. These properties …

The realization of the spin-glass (SG) state in Heusler alloys is very rare despite the
presence of inherent structural and elemental disorder in those compounds. Although a few …

The all-d-metal Mn 2-based Heusler ferromagnetic shape memory alloys Mn 50 Ni 40− x Co
x Ti 10 (x= 8 and 9.5) are realized. With a generic comparison between d-metal Ti and main …