Research Information System
Computational Condensed Matter, vol.45, 2025 (ESCI, Scopus)
Using density functional theory, the magnetic and electrical characteristics of two-dimensional GaSb nanosheets doped with transition metals (Cr, Mn, Fe, Co, V, and Cu) were methodically investigated. The most stable magnetic states were found by optimizing a variety of ferromagnetic and antiferromagnetic designs. Although the pristine GaSb nanosheet has a wide bandgap of 1.78 eV and is not magnetic, transition metal doping causes structural distortions and localized magnetic moments. Interestingly, Cr-, Fe-, and Mn-doped GaSb nanosheets show half-metallic ferromagnetism and full spin polarization, which makes them interesting for spintronic applications. For Fe-, Cr- and Mn doped systems, the Curie temperature (TC), which is calculated using the mean-field approximation from the energy difference between ferromagnetic and disordered local moment configurations, is much higher than room temperature (RT). The potential of TM-doped GaSb nanosheets in upcoming low-dimensional spintronic and nanoelectronic devices is highlighted by these results.