First-Principles Forecast of Gapless Half-Metallic and Spin-Gapless Semiconducting Materials: Case Study of Inverse Ti2CoSi-Based Compounds
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DOI: 10.3390/app10030782
Abstract: First-principles calculations were used to investigate several inverse Ti2CoSi-based compounds. Our results indicate that Ti2CoSi could transform from a spin-gapless semiconductor to a half metal if a quarter of the Co atoms are replaced by… read more here.
Keywords: 25co0 75si0; ti2 25co0; spin gapless; half metallic ... See more keywords