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Structural, mechanical, and optoelectronic properties of siladiamanes – Novel hypothetical silicon analogs of diamanes: A combined DFT and DFTB study

This work describes structural, mechanical, and optoelectronic properties of the AA- and AB-stacked siladiamanes. Siladiamanes are hypothetical silicon analogues of diamanes – semiconducting quasi 2D diamonds. According to DFT calculations, the AA- and AB-stacked siladiamanes are thermodynamically,...

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Auteur principal: R. Kevorkyants
Format: Artigo
Langue:Inglês
Publié: Elsevier 2025-07-01
Collection:Next Materials
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Accès en ligne:http://www.sciencedirect.com/science/article/pii/S2949822825002497
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