Exploring Multifunctional Applications of Hexagonal Boron Arsenide Sheet: A DFT Study

摘要: The electronic, transport, optical, thermoelectric, and thermodynamic properties of the two-dimensional (2D) stable monolayer boron arsenide (BAs) sheets have been investigated using state-of-art theoretical calculations. energetic, dynamic, thermal, mechanical stability BAs sheet also studied to unravel feasibility experimental realization this material. Interestingly, band gap semiconducting changes from direct into indirect material by application biaxial strain 10% it becomes metallic at 14% strain. Furthermore, positive phonon vibrational modes observed for all applied strains, which ensure under property is preserved when cutting 2D one-dimensional nanoribbons, size dependent. In addition, calculated optical exhibit strong anisotropy. nanomaterial has adsorption in UV-visible region. Seebeck coefficient power factor values show that an ideal candidate thermal management thermoelectric applications. Finally, on basis frequencies. These rich nanosheets endow system with promising applications nanoelectronics photovoltaics.