Calculated magnetic moment of δ-manganese |
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Authors: | J Kübler |
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Institution: | Ruhr-Universität Bochum, Abteilung für Physik, 4630-Bochum, Fed. Rep. Germany |
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Abstract: | Spin-density-functional theory is used to calculate the magnetic moment of δ-Mn whose ground state is assumed to be either antiferromagnetic or ferromagnetic. The band structure is given for paramagnetic, antiferromagnetic and ferromagnetic δ-Mn. The magnetic moment of antiferromagnetic δ-Mn is found to be 3μB while that of ferromagnetic δ-Mn is 2.7 μB. The total energy favors the antiferromagnetic ground state by about 0.3 eV. |
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