Metal oxides possess exceptional potential as base materials in emerging technologies. In
recent times, significant amount of research works is carried out on these materials to assess …

Wide bandgap oxide semiconductors with controllable sizes are an interesting class of
nanomaterials due to their applications in spintronic and magneto-optical devices. In recent …

Room temperature ferromagnetic ordering has been observed in a high purity
polycrystalline SnO2 sample due to irradiation of 96 MeV oxygen ions. Ab initio density …

The magnetism and electronic structure of Li-doped SnO 2 are investigated using first-
principles LDA/LDA+ U calculations. We find that Li induces magnetism in SnO 2 when …

The structural, electronic, and magnetic properties of two-dimensional (2D) GaS are
investigated using density functional theory (DFT). After confirming that the pristine 2D GaS …

The electronic structure and optical properties of Mn and B, C, N co-doped molybdenum
disulfide (MoS 2) monolayers have been investigated through first-principles calculations. It …

Based on first-principles calculations, we study the electronic structure, magnetic properties
and optical properties of transition metal (TM) doped SnO2NSs. Computational results …

Half-metallic behavior and ferromagnetism are predicted in strained MoS 2 with different
light elements adsorbed using density functional theory. We find that strain increases the …

In this paper, an ab initio study of the electronic and magnetic properties of C d S doped by
the transition metal elements has been investigated. Based on the KKR-CPA method within …

We employ spin-polarized density functional theory (DFT) calculations within generalized
gradient approximation (GGA) to study the electronic structure and magnetic properties of C …