As one large family of intermetallic compounds, Heusler compounds offer a wide playground
for novel materials design because of their wide range of compositions and tunable …

Heusler compounds are a large group of intermetallic compositions with versatile material
properties. In recent times, they are found to be important for their practical applications in …

New magnetic materials with high Curie temperatures for spintronic applications are
perpetually sought for. In this paper, we present an ab initio study of the structural, electronic …

The structural and mechanical stability of Fe2TaAl and Fe2TaGa alloys along with the
electronic properties are explored with the help of density functional theory. On applying …

Study of half-metallicity has been performed in a new series of Mn2ScZ (Z= Si, Ge and Sn)
full Heusler alloys using density functional theory with the calculation and implementation of …

We review many-body effects, their microscopic origin, as well as their impact on
thermoelectricity in correlated narrow-gap semiconductors. Members of this class—such as …

In this review, we consider state-of-the-art density functional theory (DFT) investigations of
strongly correlated systems performed with the meta-generalized gradient approximation …

The full-Heusler VFe2Al has emerged as an important thermoelectric material in its thin film
and bulk phases. VFe2Al is attractive for use as a thermoelectric materials because of it …

By using ab-initio formulism the thermo-physical, electronic, elasto-mechanical and
structural properties of Fe 2 ZrSi Heusler along the band structure are examined at high …

For Fe2VAl the temperature-dependent Seebeck coefficient S (T) and electrical resistivity ρ
(T) were calculated within the framework of density functional theory (DFT). The DFT …