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)...

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Detalles Bibliográficos
Autores principales: Yang, Juntao, Zhou, Yong, Guo, Qilin, Dedkov, Yuriy, Voloshina, Elena
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Chemistry
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9047969/
https://www.ncbi.nlm.nih.gov/pubmed/35494474
http://dx.doi.org/10.1039/c9ra09030d

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