Year: 2025
Type: preprint
Abstract: We employ first principles density-functional theory (DFT) and the Bethe-Salpeter equation (BSE) in the framework of tight-binding based maximally localized Wannier functions (MLWF-TB) model to investigate the electronic and optical properties of free-standing two-dimensional (2D) germanium dioxide phases. All investigated 2D GeO2 polymorphs exhibit ultra-wide band gaps and strong excitonic effects, with flat O-p-derived valence bands tunable under strain. These features allow the design of flat band materials with ultra large electronic gaps in low-dimensional systems, making these materials promising for devices operation at higher voltages and temperatures than conventional semiconductor materials.
Source: arXiv (Cornell University)
Authors: Reis, Rafael Franco Ribeiro, Araujo, Gabriel Elyas Gama, Kuritza, Danilo, Dias, Alexandre Cavalheiro, da Rosa, Andreia Luisa, Pontes, Renato Borges
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7102387534
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