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arXiv · 1703.02142

A first-principles DFT+GW study of spin-filter and spin-gapless semiconducting Heusler compounds

M. Tas·E. Sasioglu·C. Friedrich·I. Galanakis
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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 $GW$ 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 $GW$ self energy instead of the usual density functionals is important to accurately determine the electronic properties of magnetic semiconductors.

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M. Tas, E. Sasioglu, C. Friedrich, I. Galanakis. 2017-06-09. A first-principles DFT+GW study of spin-filter and spin-gapless semiconducting Heusler compounds. https://doi.org/10.1016/j.jmmm.2017.05.062

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