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Search Publications by: Viviana Faride Dovale Farelo (IntlAssoc)

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Displaying 1 - 3 of 3

Strain-Induced Interfacial Bond Evolution and Facet-Dependent Strain Response of Electronic Properties in Oxidized Silicon Nanowires

October 19, 2026
Author(s)
Yasir Mahmood, Daniel Wines, Viviana Faride Dovale Farelo, Kamal Choudhary, Lucas Hale
Silicon nanowires (Si NWs) have emerged as promising candidates for next-generation nanoelectronic devices due to their tunable electronic properties, and compatibility with aggressive scaling requirements. The integration of strain further enhances their

System-Conditioned Reparameterization of the SCAN Functional for Accurate Bandgaps: From Analytical Constraints to Machine Learning

March 7, 2026
Author(s)
Viviana Faride Dovale Farelo, Pedram Tavadze, Miguel Marques, Srinjoy Das, Kamal Choudhary, Alejandro Bautista-Hernandez, Aldo Romero
This work investigates how reparametrizing the Strongly Constrained and Appropriately Normed (SCAN) exchange–correlation (XC) functional within density functional theory affects predictions of the electronic bandgap (Eg) for solids. A system dependent
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