In this work, we employed the full-potential linearized augmented plane wave (FP-LAPW)
method to study the stability, magneto-electronic and thermoelectric properties of double …

Herein, we have presented systematic DFT calculations for physical properties of barium-
based periodate double perovskite oxides Ba2AgIO6 and Ba2NaIO6 in cubic phase. Our …

Density‐functional theory based, first‐principles spin‐polarized calculations of the structural,
electronic, magnetic, optical, and thermoelectric characteristics of K2OsX6 (X= Cl, Br) are …

We report an analysis of the structural, electronic, mechanical, and thermoelectric properties
of oxide double perovskite structures, specifically the compounds Ba 2 MgReO 6 and Ba 2 …

The MX-enes are favorable two-dimensional materials for a wide variety of applications such
as electronic and spintronic devices. The quantum confinement effects arising from reduced …

The high symmetry cubic phase of double perovskites is an ideal crystal phase at higher
temperatures, and exhibit various fascinating properties such as multiferroicity, half …

Using full-potential linear-augmented plane waves plus local orbitals (FP-LAPW) method,
within the generalized gradient approximation (GGA) and GGA+ U (Hubbard Coulomb …

Recently, the equiatomic quaternary Heusler alloy CoFeCrGe has been demonstrated to be
half-metallic ferromagnet and possesses high Curie temperature of 866 K (Enamullah et al …

Using density-functional theory within the generalized-gradient approximation, we explore
the magnetic behavior induced by nonmagnetic atoms Ra and Bi in RaBi binary compound …

The structural competing and atomic ordering of the full Heusler compounds Fe2NiSi and
Ni2FeSi under uniform and tetragonal strains have been systematically studied by the first …