A first-principles DFT+GW study of spin-filter and spin-gapless semiconducting Heusler compounds
arXiv:1703.02142 · doi:10.1016/j.jmmm.2017.05.062
Abstract
Among Heusler compounds, the ones being magnetic semiconductors (also known as spin-filter materials) are widely studied as they offer novel functionalities in spintronic/magnetoelectronic devices. The spin-gapless semiconductors are a special case. They possess a zero or almost-zero energy gap in one of the two spin channels. We employ the approximation, which allows an elaborate treatment of the electronic correlations, to simulate the electronic band structure of these materials. Our results suggest that in most cases the use of self energy instead of the usual density functionals is important to accurately determine the electronic properties of magnetic semiconductors.
Final version as published
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