Magnetism and electronic structure calculation of SmN.
The results of the electronic structure calculations performed on SmN by using the LDA+U method with and without including the spin-orbit coupling are presented. Within the LDA+U approach, a N(2p) band polarization of about 0.3 μB is induced by Sm(4f)-N(2p) hybridization, and a half-metallic ground state is obtained. By including spin-orbit coupling the magnetic structure was shown to be antiferromagnetic of type II, with Sm spin and orbital moments nearly cancelling. This results into a semiconducting ground state, which is in agreement with experimental results.
National Institute for Research and Development of Isotopic and Molecular Technologies, 65-103 Donath, RO-400293 Cluj Napoca, Romania.
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Morari
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Beiuşeanu
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Di Marco
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Peters
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Burzo
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Mican
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Chioncel