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Electronic, magnetic and optical properties of MnPX(3) (X = S, Se) monolayers with and without chalcogen defects: a first-principles study
Based on density functional theory (DFT), we performed first-principles studies on the electronic structure, magnetic state and optical properties of two-dimensional (2D) transition-metal phosphorous trichalcogenides MnPX(3) (X = S and Se). The calculated interlayer cleavage energies of the MnPX(3)...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9047969/ https://www.ncbi.nlm.nih.gov/pubmed/35494474 http://dx.doi.org/10.1039/c9ra09030d |