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Second-order Jahn–Teller effect induced high-temperature ferroelectricity in two-dimensional NbO(2)X (X = I, Br)

Based on the first-principles calculations, we investigated the ferroelectric properties of two-dimensional (2D) materials NbO(2)X (X = I, Br). Our cleavage energy analysis shows that exfoliating one NbO(2)I monolayer from its existing bulk counterpart is feasible. The phonon spectrum and molecular...

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Detalles Bibliográficos
Autores principales:	Sun, Huasheng, Deng, Kaiming, Kan, Erjun, Du, Yongping
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	RSC 2023
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10228335/ https://www.ncbi.nlm.nih.gov/pubmed/37260497 http://dx.doi.org/10.1039/d3na00245d

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