No Arabic abstract
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 the insulating to the metallic state, where the charge density wave and the corresponding energy spectrum gap vanish. The transition takes place on the ultra-fast time scale of tens femtoseconds, comparable to the period of the corresponding lattice vibrations. The dynamics are determined by a complex interplay of the particle-hole excitation over the gap and of the tunnelling through it, giving rise to the highly non-trivial time evolution which comprises high harmonics and reveals periodic reappearance of the gap. The time evolution is obtained by solving the dynamical mean-field theory equations with the realistic parameters for the system and radiation. Results are summarized in the phase diagram, helpful for a possible experimental setup to achieve a dynamical control over the conduction state of this and other materials with the similarly strong electron-phonon interaction.
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 exhibit a direct band gap that increases as the wire diameter narrows, irrespective of surface termination. This effect has been observed in previous experimental and theoretical studies for hydrogenated wires. For a fixed cross-section, the functional group used to saturate the silicon surface significantly modifies the band gap, resulting in relative energy shifts of up to an electronvolt. The band gap shifts are traced to details of the hybridization between the silicon valence band and the frontier orbitals of the terminating group, which is in competition with quantum confinement.
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 stacking orders. At the Dirac point, ABA-stacked TLG remains metallic while the ABC counterpart becomes insulating. The latter exhibits a gap-like dI/dV characteristics at low temperature and thermally activated conduction at higher temperatures, indicating an intrinsic gap ~6 meV. In magnetic fields, in addition to an insulating state at filling factor { u}=0, ABC TLG exhibits quantum Hall plateaus at { u}=-30, pm 18, pm 9, each of which splits into 3 branches at higher fields. Such splittings are signatures of the Lifshitz transition induced by trigonal warping, found only in ABC TLG, and in semi-quantitative agreement with theory. Our results underscore the rich interaction-induced phenomena in trilayer graphene with different stacking orders, and its potential towards electronic applications.
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 SRO thin films with varying thicknesses fabricated on SrTiO3(001) substrates by soft x-ray magnetic circular dichroism (XMCD) at the Ru M2,3 edge. Results have shown that, with decreasing film thickness, the film changes from ferromagnetic to non-magnetic around 3monolayer thickness, consistent with previous magnetization and magneto-optical Kerr effect measurements. The orbital magnetic moment perpendicular to the film was found to be ~ 0.1{mu}B/Ru atom, and remained nearly unchanged with decreasing film thickness while the spin magnetic moment decreases. Mechanism for the formation of the orbital magnetic moment is discussed based on the electronic structure of the compressively strained SRO film.
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 to band-edge wavefunction localization, (ii) for small Delta-n/n the SL band gap is pinned at the gap level produced by a single layer with ``wrong thickness n + Delta-n, (iii) the bound states due to monolayer thickness fluctuations lead to significant band-gap reductions, (iv) <001> AlAs/GaAs SLs with monolayer thickness fluctuations have a direct band gap, while the ideal <001> SLs are indirect for n<4.