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Lorenzo Sponza

Publications and source records attributed to Lorenzo Sponza.

22 records · Page 2Linked to original sources

Angular resolved electron energy loss spectroscopy in hexagonal boron nitride

Electron energy loss spectra have been measured on hexagonal boron nitride single crystals employing a novel electron energy loss spectroscopic set-up composed by an electron microscope equipped with a monochromator and an in-column filter. This set-up provides high-quality energy-loss spectra and allows also for the imaging of energy-filtered diffraction patterns. These two acquisition modes provide complementary pieces of information, offering a global view of excitations in reciprocal space. As an example of the capabilities of the method we show how easily the core loss spectra at the $K$ edges of boron and nitrogen can be measured and imaged. Low losses associated to interband and/or plasmon excitations are also measured. This energy range allows us to illustrate that our method provides results of quality comparable to those obtained from non resonant X-ray inelastic scattering, but with advantageous specificities such as an enhanced sensitivity at low q and a much higher simplicity and versatility that makes it well adapted to the study of two-dimensional materials and related heterostructures. Finally, by comparing theoretical calculations against our measures, we are able to relate the range of applicability of ab initio calculations to the anisotropy of the sample and assess the level of approximation required for a proper simulation of our acquisition method.

cond-mat.mtrl-sci↗

Confinement effects in ultra-thin ZnO polymorph films: electronic and optical properties

Relying on generalized-gradient and hybrid first-principles simulations, this work provides a complete characterization of the electronic properties of ZnO ultra-thin films, cut along the Body-Centered-Tetragonal(010), Cubane(100), h-BN(0001), Zinc-Blende(110), Wurtzite(10$\bar{1}$0) and (0001) orientations. The characteristics of the local densities of states are analyzed in terms of the reduction of the Madelung potential on under-coordinated atoms and surface states/resonances appearing at the top of the VB and bottom of the CB. The gap width in the films is found to be larger than in the corresponding bulks, which is assigned to quantum confinement effects. The components of the high frequency dielectric constant are determined and the absorption spectra of the films are computed. They display specific features just above the absorption threshold due to transitions from or to the surface resonances. This study provides a first understanding of finite size effects on the electronic properties of ZnO thin films and a benchmark which is expected to foster experimental characterization of ultra-thin films via spectroscopic techniques.

cond-mat.mtrl-sci↗

Exciton band structure in two-dimensional materials

Low-dimensional materials differ from their bulk counterpart in many respects. In particular, the screening of the Coulomb interaction is strongly reduced, which can have important consequences such as the significant increase of exciton binding energies. In bulk materials the binding energy is used as an indicator in optical spectra to distinguish different kinds of excitons, but this is not possible in low-dimensional materials, where the binding energy is large and comparable in size for excitons of very different localization. Here we demonstrate that the exciton band structure, which can be accessed experimentally, instead provides a powerful way to identify the exciton character. By comparing the ab initio solution of the many-body Bethe-Salpeter equation for graphane and single-layer hexagonal BN, we draw a general picture of the exciton dispersion in two-dimensional materials, highlighting the different role played by the exchange electron-hole interaction and by the electronic band structure. Our interpretation is substantiated by a prediction for phosphorene.

cond-mat.mtrl-sci↗

Anomalous excitons and screenings unveiling strong electronic correlations in SrTi$_{1-x}$Nb$_x$O$_3$, 0$\leq$x$\leq$0.005

Electron-electron (e-e) and electron-hole (e-h) interactions are often associated with many exotic phenomena in correlated electron systems. Here, we report an observation of anomalous excitons at 3.75 , 4.67 and 6.11 eV at 4.2 K in bulk-SrTiO$_3$. Fully supported by ab initio GW Bethe-Salpeter equation calculations, these excitons are due to surprisingly strong e-h and e-e interactions with different characters: 4.67 and 6.11 eV are resonant excitons and 3.75 eV is a bound Wannier-like exciton with an unexpectedly higher level of delocalization. Measurements and calculations on SrTi$_{1-x}$Nb$_x$O$_3$ for 0.0001$\leq$x$\leq$0.005 further show that energy and spectral-weight of the excitonic peaks vary as a function of electron doping (x) and temperature, which are attributed to screening effects. Our results show the importance of e-h and e-e interactions yielding to anomalous excitons and thus bring out a new fundamental perspective in SrTiO$_3$.

cond-mat.str-el↗