biostudies-literatureUnknown11(56)Abdullahi YZA recent theoretical work predicted the orthorhombic phase of the V₂P₂ sheet with the half-metallic electronic property using a linear combination of atomic orbitals (LCAO) basis set based on density functional theory (DFT). However, in the plane-wave DFT method, the tetragonal (t) V₂P₂ phase is the ground state structure. The total energy of the optimized tetragonal V₂P₂ is 0.91 eV per cell lower than that of the orthorhombic phase. Herein, we investigated the effects of Hubbard U correction onthe electronic, magnetic, and adsorption properties of the t-V₂P₂ sheet. The t-V₂P₂ sheet is found to be dynamically and mechanically stable. The t-V₂P₂ sheet prefers aRSC advances35061-35068https://www.ebi.ac.uk/biostudies/studies/S-EPMC9043019biostudies-literatureEffects of the Hubbard U correction on the electronic and magnetic properties of the tetragonal V₂P₂ sheet.PMC9043019Ahmad SIbrahim AAAbdullahi YZfalseEffects of the Hubbard U correction on the electronic and magnetic properties of the tetragonal V₂P₂ sheet.A recent theoretical work predicted the orthorhombic phase of the V₂P₂ sheet with the half-metallic electronic property using a linear combination of atomic orbitals (LCAO) basis set based on density functional theory (DFT). However, in the plane-wave DFT method, the tetragonal (t) V₂P₂ phase is the ground state structure. The total energy of the optimized tetragonal V₂P₂ is 0.91 eV per cell lower than that of the orthorhombic phase. Herein, we investigated the effects of Hubbard U correction onthe electronic, magnetic, and adsorption properties of the t-V₂P₂ sheet. The t-V₂P₂ sheet is found to be dynamically and mechanically stable. The t-V₂P₂ sheet prefers a2021-01-01T00:00:00Z2021 Oct2025-06-01T12:10:49.224Z2024-11-20T15:13:25.166ZS-EPMC90430193549313510.1039/d1ra07558f