Version 1
: Received: 16 July 2024 / Approved: 17 July 2024 / Online: 17 July 2024 (13:44:00 CEST)
How to cite:
Özdoğan, K.; Galanakis, I. Interplay between Structural, Electronic and Magnetic Properties in the p0-D Semi-heusler Compounds; the Case of the Li-Based Compounds. Preprints2024, 2024071377. https://doi.org/10.20944/preprints202407.1377.v1
Özdoğan, K.; Galanakis, I. Interplay between Structural, Electronic and Magnetic Properties in the p0-D Semi-heusler Compounds; the Case of the Li-Based Compounds. Preprints 2024, 2024071377. https://doi.org/10.20944/preprints202407.1377.v1
Özdoğan, K.; Galanakis, I. Interplay between Structural, Electronic and Magnetic Properties in the p0-D Semi-heusler Compounds; the Case of the Li-Based Compounds. Preprints2024, 2024071377. https://doi.org/10.20944/preprints202407.1377.v1
APA Style
Özdoğan, K., & Galanakis, I. (2024). Interplay between Structural, Electronic and Magnetic Properties in the p0-D Semi-heusler Compounds; the Case of the Li-Based Compounds. Preprints. https://doi.org/10.20944/preprints202407.1377.v1
Chicago/Turabian Style
Özdoğan, K. and Iosif Galanakis. 2024 "Interplay between Structural, Electronic and Magnetic Properties in the p0-D Semi-heusler Compounds; the Case of the Li-Based Compounds" Preprints. https://doi.org/10.20944/preprints202407.1377.v1
Abstract
Half-metallic semi-Heusler compounds are currently at the forefront of scientific research due to their potential applications in spintronic devices. Unlike other semi-Heuslers, the p0(d0)-d compounds do not appear to crystallize in the typical variant of the C1b structure. We investigate this phenomenon in the p0-d Heusler compounds LiYGa and LiYGe, where Y varies between Ca and Zn, using first-principles ab-initio electronic band structure calculations. We examine the electronic and magnetic properties of these compounds in relation to the three possible C1b structures. Notably, LiVGa, LiVGe, LiMnGa, and LiCrGe are half-metallic ferromagnets across all three variations of the C1b lattice structure. Our findings will serve as a foundation for future experimental studies on these compounds.
Chemistry and Materials Science, Electronic, Optical and Magnetic Materials
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
