The geometry, bonding, electronic and magnetic properties of Fe4N/oxides (MgO, BaTiO3
and BiFeO3) interfaces with different configurations are performed using first-principles …

We study the magnetic anisotropy energy (MAE) of the isolated and deposited Eu (C 8 H 8)
2 by first-principles calculations considering the van der Waals correction and the strong …

Recently, extensive experimental and theoretical studies on two-dimensional materials have
attracted enormous interest in exploring the properties of these materials by decorating their …

The understanding of orbital hybridization and spin polarization at the organic-ferromagnetic
interface is essential in the search for efficient hybrid spintronic devices. Here, using first …

Two-dimensional (2D) materials with flexible structures and suitable band gaps have
significant potential for applications in spintronics. Recent studies have highlighted the …

Two-dimensional MXenes materials, owing to their unique electronic properties, have
potential applications in novel low-dimensional spintronic devices. Here, the different …

The electronic, magnetic, and optical properties of the Co2VAl (111) graphene-like (GL)
monolayer as well as the (101) and (011) terminations have been calculated on the basis of …

Controlling the interaction between organic semiconductors and ferromagnetic surfaces is
one of the key issues for designing metal–organic hybrid interfaces for spintronic …

Preadsorbing suitable gas molecule on the substrate can effectively improve the adsorption
strength of the system. The adsorption properties of preadsorping NH 3 on SO 2-adsorbed …

The interactions of NH 3, NO x and O 2 with two Fe 3 O 4 (1 1 1) surfaces named Fe tet-and
Fe oct-tet-terminated, respectively, were investigated by first principle calculation. The …