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Exploring half-metallic Co-based full Heusler alloys using a DFT+U method combined with linear response approach
A density functional theory (DFT)+U method based on linear response (LR) theory was applied to investigate the electronic structures of a Co-based ternary full Heusler alloy Co(2)YSi to explore half-metallic (HM) ferromagnets with a wide HM gap. The LR-based DFT+U calculations tend to obtain a reaso...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9072127/ https://www.ncbi.nlm.nih.gov/pubmed/35530215 http://dx.doi.org/10.1039/c9ra05212g |