Panoramic analysis of 2D dirubidium telluride monolayer benchmarking the DFT approach

Abstract Through the DFT computations, the structural, vibrational, electronic, elastic, optical and thermal (thermoelectric, thermodynamic) properties of the two-dimensional Rb2Te monolayer are briefly contemplated. The Perdew-Bruke-Ernzerhof (PBE) form of generalized gradient approximation (GGA) f...

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Bibliographic Details
Main Authors: G. Sneha, R. D. Eithiraj
Format: Article
Language:English
Published: Nature Portfolio 2025-02-01
Series:Scientific Reports
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Online Access:https://doi.org/10.1038/s41598-025-89149-z
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