Importance of d-p Coulomb interaction for high TC_C cuprates and other oxides

Current theoretical studies of electronic correlations in transition metal oxides typically only account for the local repulsion between d-electrons even if oxygen ligand p-states are an explicit part of the effective Hamiltonian. Interatomic interactions such as Upd between d- and (ligand) p-electrons, as well as the local interaction between p-electrons, are neglected. Often, the relative d-p orbital splitting has to be adjusted "ad hoc" on the basis of the experimental evidence. By applying the merger of local density approximation and dynamical mean field theory (LDA+DMFT) to the prototypical case of the 3-band Emery dp model for the cuprates, we demonstrate that, without any "ad hoc" adjustment of the orbital splitting, the charge transfer insulating state is stabilized by the interatomic interaction Upd. Our study hence shows how to improve realistic material calculations that explicitly include the p-orbitals.Comment: 17 pages, 6 figures, our study shows that U_pd is the physics behind previous ad-hoc shifts of the d-p level splittin

Non-perturbative intertwining between spin and charge correlations: A "smoking gun" single-boson-exchange result

We study the microscopic mechanism controlling the interplay between the local charge and local spin fluctuations in correlated electron systems, via a thorough investigation of the generalized on-site charge susceptibility of several fundamental many-electron models, such as the Hubbard atom, the Anderson impurity model and the Hubbard model. By decomposing the numerically determined generalized susceptibility in terms of physically transparent single-boson exchange processes, we unveil the microscopic mechanisms responsible for the breakdown of the self-consistent many-electron perturbation expansion. In particular, we unambiguously identify the origin of the significant suppression of its diagonal entries in (Matsubara) frequency space and the slight increase of the off-diagonal ones which cause the breakdown. The suppression effect on the diagonal elements directly originates from the electronic scattering on local magnetic moments, reflecting their increasingly longer lifetime as well as their enhanced effective coupling with the electrons. The slight and diffuse enhancement of the off-diagonal terms, instead, can be mostly ascribed to multiboson scattering processes. The strong intertwining between the spin and charge sector is partly weakened at the Kondo temperature due to a progressive reduction of the effective spin-fermion coupling of local magnetic fluctuations in the low frequency regime. Our analysis, thus, clarifies the precise way in which the physical information between different scattering channels of interacting electron problems is transferred and highlights the pivotal role played by such an intertwining in the physics of correlated electrons beyond the perturbative regime.Comment: 31 pages, 14 figures, submission to SciPos

Sviluppo di un software per l’analisi di immagini di Diffusion Kurtosis Imaging

L’analisi mediante RM del tensore di diffusione (Diffusion Tensor Imaging, DTI) consente di valutare anche in vivo e con modalità non invasive il processo di diffusione delle molecole d’acqua nei tessuti biologici. La peculiare organizzazione di alcuni tessuti biologici (es: muscoli, sostanza bianca del sistema nervoso centrale e tessuti ad alta cellularità) influenza tale fenomeno rendendolo anisotropo e quindi ben valutabile con tali tecniche di studio. Nonostante i grandi vantaggi di tale tecnica, il DTI è basato su un modello molto semplificato che assume che lo spostamento per diffusione segua un profilo gaussiano il che è molto raro in un ambiente variegato come i tessuti biologici. Per caratterizzare la natura non gaussiana della diffusione dell’acqua nei tessuti è stata sviluppata negli ultimi anni la Diffusion Kurtosis Imaging (DKI) che permette di ottenere ulteriori e più accurate informazioni sulle caratteristiche ultrastrutturali tissutali. Nel presente lavoro si è posto come obiettivo lo sviluppo di un software in grado di ricostruire le mappe tipiche della DKI. In particolare, il software è stato sviluppato in linguaggio di programmazione “Python” e permette di estrarre i parametri DTI e DKI da una serie di dati acquisiti per vari valori di b e per un vario numero di direzioni di gradienti

Traditional farmers’ varieties: a valuable source of genetic variability for biofortification programs

Several studies underlined the superiority from a nutritional point of view of ancient varieties. In the last years the interest for landraces has been growing, for this reason preservation and valorisation of these genetic sources is very important. In particular these varieties are source of precious genetic variability interesting from a scientific point of view to preserve biodiversity but also for biofortification programs aimed to support small rural communities, where the particular maize germplasm has been developed. In this work we characterized from the nutritional point of view 13 ancient Italian varieties and one coming from Spain (Millo Corvo). In this pre-breeding work we demonstrate the nutritional superiority of ancient varieties if compared with modern hybrids. In particular Spinato di Gandino is the best variety for milling properties and for oil, protein, and total phosphorus content; Storo is the best variety for calorific value and for carotenoids and free phosphorus content. Using these varieties in the next future we will start a bio-fortification program aimed to obtain new populations with improved yields and high nutritional value