Pressure-dependent multiplet-excitation energies of α-Al2O3:Cr3+ by the first-principles method

We apply a method [Phys. Rev. B108, 035141 (2023)], which can treat the multiplet excitations in the first-principles method, to a typical pressure indicator α-Al2O3:Cr3+. After optimizing the crystal structure under hydrostatic pressure from 0.0 to 35.0 GPa in the usual first-prinicple calculations...

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