Strongly bound Wannier-Mott exciton in pristine (LaO)MnAs and origin of ferrimagnetism in F-doped (LaO)MnAs.

ABSTRACT: We study the electronic, magnetic, and optical properties of (LaO_1-xF_x)MnAs (x = 0, 0.0625, 0.125, 0.25) systems, calculated using the generalized gradient approximation (GGA) corrected by Hubbard energy (U) = 1 eV. For x = 0, this system shows equal bandgap (E_g) values for spin-up and spin-down of 0.826 eV, with antiferromagnetic (AFM) properties and local magnetic moment in the Mn site of 3.86 μ_B per Mn. By doping F with x = 0.0625, the spin-up and spin-down E_g values decrease to 0.778 and 0.798 eV, respectively. This system, along with antiferromagnetic properties, also has a local magnetic moment in the Mn site of 3.83 μ_B per Mn. Increasing doping F to x = 0.

SUBMITTER: Manopo J 

PROVIDER: S-EPMC10167672 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature