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The material BaBiO$_{3}$ is known for its insulating character. However, for thin films, in the ultra-thin limit, metallicity is expected because BaBiO$_{3}$ is suggested to return to its undistorted cubic phase where the oxygen octahedra breathing mode will be suppresse as reported recently. Here, we confirm the influence of the oxygen breathing mode on the size of the band gap. The electronic properties of a BaBiO$_{3}$ thickness series are studied using textit{in-situ} scanning tunneling microscopy. We observe a wide-gap ($E_textrm{G}$~$>$ 1.2 V) to small-gap~($E_textrm{G}$~$approx$ 0.07 eV) semiconductor transition as a function of a decreasing BaBiO$_{3}$ film thickness. However, even for an ultra-thin BaBiO$_{3}$ film, no metallic state is present. The dependence of the band gap size is found to be coinciding with the intensity of the Raman response of the breathing phonon mode as a function of thickness.
We investigate ultra-fast coherent quantum dynamics of undoped $text{BaBiO}_{3}$ driven by a strong laser pulse. Our calculations demonstrate that in a wide range of radiation frequencies and intensities the system undergoes a transient change from t
Band gap modification for small-diameter (1 nm) silicon nanowires resulting from the use of different species for surface termination is investigated by density functional theory calculations. Because of quantum confinement, small-diameter wires exhi
In a multi-layer electronic system, stacking order provides a rarely-explored degree of freedom for tuning its electronic properties. Here we demonstrate the dramatically different transport properties in trilayer graphene (TLG) with different stacki
Thin films of the ferromagnetic metal SrRuO3 (SRO) show a varying easy magnetization axis depending on the epitaxial strain and undergo a metal-to-insulator transition with decreasing film thickness. We have investigated the magnetic properties of SR
We consider (AlAs)_n/(GaAs)_n superlattices with random thickness fluctuations Delta-n around the nominal period n. Using three-dimensional pseudopotential plane-wave band theory, we show that (i) any amount Delta-n/n of thickness fluctuations leads