Generating magnetic response and half-metallicity in GaP via dilute Ti-doping for spintronic applications

Existence of band gap in one spin channel and metallic character in other leads to interesting magnetic and optical properties of any material. These materials are capable to generate fully spin polarized current and are responsible for maximizing the efficiency of spintronic devices. The present work explores the electronic and magnetic properties of Ti-doped GaP compound with dopant concentrations; x = 0.02, 0.03 and 0.06 in order to search new Diluted Magnetic Semiconductor (DMS) compounds as spintronic materials using full potential linearized augmented plane wave plus local orbitals (FPLAPW + lo) method. The generalized gradient approximation (GGA) is used to decide exact exchange-correlation (XC) potentials. The calculated results showed that the total magnetic moment of ∼1.00 μB gets induced after Ti-doping in GaP at all dopant concentrations, irrespective of any magnetic element present. Further, this doping also generates half-metallicity in GaP with a half-metallic (HM) gap at Fermi level (EF) in minority spin channel. The half metallicity is originated by the hybridization of Ti-d states with P–p states. This induced magnetism appeared in the systems is the result of exchange interactions between host (GaP) and Ti-atom. [Display omitted] •Dilute doping of Ti in Gap is addressed to produce authenticate theoretical data.•Ti-doping generates band gap at Fermi level in minority spin channel.•Magnetism appeared is the result of exchange interactions between host (GaP) and Ti.•Magnetic moment remains constant within studied dopant concentrations.