Effects of atomic displacements on band gaps of Na2MgXO6 (X= Co, Fe) double perovskite oxides: GGA and GGA+U approaches

Structural, electronic, magnetic, and optical properties of RE2ZrZnO6 (RE= La, Dy and Ho) double perovskites: experimental and DFT studies

“…The generalized gradient approximation (PBEsol-GGA) and the Coulomb interaction approach (GGA + U) are the most suitable approximations that we used to deal with the correlation and exchange potentials [40,41]. The Hubbard Hamiltonian's electrostatic repulsion parameter is called U [42]. In the spin up channel, all the compounds exhibit metallic nature as the electron states of both the conduction and valance band are overlapping at the Fermi level.…”

Study of half-metallic ferromagnetism and transport characteristics of double perovskites Sr2AIrO6 (A = Y, Lu, Sc) for spintronic applications

“…Double perovskite oxides are gaining recognition as promising candidates for the spintronic engineering due to the ability to transform traditional charge-based electronics. 22 Spintronics leverages the intrinsic spin characteristic of electrons to transport, store and process the data, offering advantages such as significant data storage density and low power consumption. 23 Half-metallic (HM) materials, demonstrating complete spin polarizability for electrons and holes, constitute a substantial category of materials in the field of spintronics.…”