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- ItemPatterning and control of the nanostructure in plasma thin films with acoustic waves: mechanical vs. electrical polarization effects(Cambridge : RSC Publ., 2021) García-Valenzuela, Aurelio; Fakhfouri, Armaghan; Oliva-Ramírez, Manuel; Rico-Gavira, Victor; Rojas, Teresa Cristina; Alvarez, Rafael; Menzel, Siegfried B.; Palmero, Alberto; Winkler, Andreas; González-Elipe, Agustín R.Nanostructuration and 2D patterning of thin films are common strategies to fabricate biomimetic surfaces and components for microfluidic, microelectronic or photonic applications. This work presents the fundamentals of a surface nanotechnology procedure for laterally tailoring the nanostructure and crystalline structure of thin films that are plasma deposited onto acoustically excited piezoelectric substrates. Using magnetron sputtering as plasma technique and TiO2 as case example, it is demonstrated that the deposited films depict a sub-millimetre 2D pattern that, characterized by large lateral differences in nanostructure, density (up to 50%), thickness, and physical properties between porous and dense zones, reproduces the wave features distribution of the generated acoustic waves (AW). Simulation modelling of the AW propagation and deposition experiments carried out without plasma and under alternative experimental conditions reveal that patterning is not driven by the collision of ad-species with mechanically excited lattice atoms of the substrate, but emerges from their interaction with plasma sheath ions locally accelerated by the AW-induced electrical polarization field developed at the substrate surface and growing film. The possibilities of the AW activation as a general approach for the tailored control of nanostructure, pattern size, and properties of thin films are demonstrated through the systematic variation of deposition conditions and the adjustment of AW operating parameters.
- ItemStructural stability, electronic, optical, and thermoelectric properties of layered perovskite Bi2LaO4I(London : RSC Publishing, 2022) Joshi, Radha K.; Bhandari, Shalika R.; Ghimire, Madhav PrasadLayered perovskites are an interesting class of materials due to their possible applications in microelectronics and optoelectronics. Here, by means of density functional theory calculations, we investigated the structural, elastic, electronic, optical, and thermoelectric properties of the layered perovskite Bi2LaO4I within the parametrization of the standard generalized gradient approximation (GGA). The transport coefficients were evaluated by adopting Boltzmann semi-classical theory and a collision time approach. The calculated elastic constants were found to satisfy the Born criteria, indicating that Bi2LaO4I is mechanically stable. Taking into account spin-orbit coupling (SOC), the material was found to be a non-magnetic insulator, with an energy bandgap of 0.82 eV (within GGA+SOC), and 1.85 eV (within GGA+mBJ+SOC). The optical-property calculations showed this material to be optically active in the visible and ultraviolet regions, and that it may be a candidate for use in optoelectronic devices. Furthermore, this material is predicted to be a potential candidate for use in thermoelectric devices due to its large value of power factor, ranging from 2811 to 7326 μW m−1 K−2, corresponding to a temperature range of 300 K to 800 K.