Simona Achilli

Hybridized C–O–Si Interface States at the Origin of Efficiency Improvement in CNT/Si Solar Cells

Despite the astonishing values of the power conversion efficiency reached, in just less than a decade, by the carbon nanotube/silicon (CNT/Si) solar cells, many doubts remain on the underlying transport mechanisms across the CNT/Si heterojunction. Here, by combining transient optical spectroscopy in the femtosecond timescale, X-ray photoemission, and a systematic tracking of I-V curves across all phases of the interlayer SiOx growth at the interface, we grasp the mechanism that adequately preserves charge separation at the junction, hindering the photoexcited carrier recombination. Moreover, supported by ab initio calculations aimed to model the complex CNT-Si heterointerface, we show that oxygen-related states at the interface act as entrapping centers for the photoexcited electrons, thus preventing recombination with holes that can flow from Si to CNT across the SiOx layer.

Spin polarized metastable helium de-excitation processes on metal surfaces.

Spin polarized de-excitation of a metastable helium atom interacting with metal surfaces is treated within density functional theory. The method is based on a self-consistent calculation of the spin dependent electronic properties of the system, such as the surface density of states and the localized surface states, to compute the transition rate. On the high work function Ag(100) and Ag(111) surfaces, the helium 2s electron is delocalized in the metal and hence the transition rate is weakly spin dependent. The existence of a Shockley surface state in Ag(111) determines a neutralization rate that is about 59% larger than that from Ag(100). On a low work function metal, namely Na(100), the rate is of smaller magnitude than those on silver because the 2s triplet resonance is found to be more occupied. Consequently, emitted electrons can display a strong spin dependence also for a paramagnetic surface.

Magnetic Moments and Electron Transport through Chromium-based Antiferromagnetic Nanojunctions

We report the electronic, magnetic and transport properties of a prototypical antiferromagnetic (AFM) spintronic device. We chose Cr as the active layer because it is the only room-temperature AFM elemental metal. We sandwiched Cr between two non-magnetic metals (Pt or Au) with large spin-orbit coupling. We also inserted a buffer layer of insulating MgO to mimic the structure and finite resistivity of a real device. We found that, while spin-orbit has a negligible effect on the current flowing through the device, the MgO layer plays a crucial role. Its effect is to decouple the Cr magnetic moment from Pt (or Au) and to develop an overall spin magnetization. We have also calculated the spin-polarized ballistic conductance of the device within the Büttiker–Landauer framework, and we have found that for small applied bias our Pt/Cr/MgO/Pt device presents a spin polarization of the current amounting to ≃25%.

Enhanced magnetic hybridization of a spinterface through insertion of a two-dimensional magnetic oxide layer

Interfaces between organic semiconductors and ferromagnetic metals offer intriguing opportunities in the rapidly developing field of organic spintronics. Understanding and controlling the spin-polarized electronic states at the interface is the key toward a reliable exploitation of this kind of systems. Here we propose an approach consisting in the insertion of a two-dimensional magnetic oxide layer at the interface with the aim of both increasing the reproducibility of the interface preparation and offering a way for a further fine control over the electronic and magnetic properties. We have inserted a two-dimensional Cr4O5 layer at the C60/Fe(001) interface and have characterized the corresponding morphological, electronic, and magnetic properties. Scanning tunneling microscopy and electron diffraction show that the film grows well-ordered both in the monolayer and multilayer regimes. Electron spectroscopies confirm that hybridization of the electronic states occurs at the interface. Finally, magnetic dichroism in X-ray absorption shows an unprecedented spin-polarization of the hybridized fullerene states. The latter result is discussed also in light of an ab initio theoretical analysis.