Stability, electronic and thermodynamic properties of aluminene from first-principles calculations
Source abstract
Abstract
Abstract Using first-principles calculations based on density functional theory (DFT), we have investigated the structure stability and electronic properties of both buckled and 8- Pmmn phase aluminene. Phonon dispersion analysis reveals that the buckled and 8- Pmmn aluminene are dynamically stable. The band structure shows that both the buckled and 8- Pmmn aluminene exhibit metallic behavior. Finally, the thermodynamic properties are investigated based on phonon properties.
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Research context
OpenAlex topics: Boron and Carbon Nanomaterials Research · Graphene research and applications · 2D Materials and Applications
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