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First-Principles Study on the Magnetoelectric and Optical Properties of Novel Magnetic Semiconductor Li(Mg, Cr)P With Decoupled Spin and Charge Doping
The electronic structures, magnetic and optical properties of Li(1±y)(Mg(1−x)Cr(x)) P (x, y = 0.125) are calculated by using the first principles method based on density functional theory. We find that the incorporation of Cr causes the strong hybridization between Li-2s, P-2p, and Cr-3d orbitals, r...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7578416/ https://www.ncbi.nlm.nih.gov/pubmed/33134285 http://dx.doi.org/10.3389/fchem.2020.594411 |