机译:Evaluation of DFT plus U and HSE Frameworks for Strongly Correlated Iron Oxide
Hangzhou Dianzi Univ;
Gayatri Vidya Parishad Coll Engn Autonomous;
Univ Coll Dublin;
Band gap; Density functional Theory; Iron oxide; Metal oxides; Surface energies; TOTAL-ENERGY CALCULATIONS; HEMATITE ALPHA-FE2O3; TRANSITION-METAL; WATER; FILMS; APPROXIMATION; EXCHANGE; SPECTRA; SURFACE; STATES;