Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For
We present a first-principles investigation of the structural, electronic, and magnetic properties of the pristine and Fe-doped α-MnO₂ using density-functional theory with extended Hubbard functionals
Data set associated with our work "Sign control of photocurrents by spin-group-symmetry breaking in altermagnetic insulators". It contains input files for ab-initio calculations, information about th
