Innovative materials and advanced characterization techniques

The DSFTM activities in this interdisciplinary research area are undertaken in close synergy with other CNR Departments. They are strongly competitive at international level with significant industrial outcomes in the following fields: aerospace, energy, health, environment and sensors.

The activities on innovative materials are focused on semiconductor, oxide, organic, magnetic, superconductor, piezoelectric and hybrid materials. Micro and nanostructures based on them represent innovative research examples which also include growth processes with physical and chemical systems, interface and dimensionality control processes. Materials control at the nanoscale can lead to the creation of composite materials and devices with new specific functionalities having broad perspectives for applications interesting for Horizon 2020 (flagships, ERC, etc.).

The Department aims at increasing its competences in designing and realizing innovative instrumentation in order to extend the frontier of knowledge in the science of matter and to contribute at relaunching the competitiveness of the national high-tech companies. For this purpose, it is planned to broaden: the study of the fundamental properties of matter by significantly increasing the experimental resolution of the present techniques (energy, time and spatial resolution both for spectroscopy and for microscopy); the study of the matter in extreme conditions (high pressure, high magnetic and electric fields, ultra–low concentrations gases, high temperatures); the development of image–processing methodologies; the simulation of more and more complex systems and the development of computing and modelling methods.

Spotlights on research activity

Atomistic origins of CH3NH3PbI3 degradation to PbI2 in vacuum

We have studied the mechanisms of CH3NH3PbI3 degradation and its transformation to PbI2 by means of X–ray diffraction and the density functional theory. The experimental analysis has shown that the material can degrade in both air and vacuum conditions, with humidity and temperature–annealing strongly accelerating such process. Based on ab–initio calculations, we have argued that even in the absence of humidity, a decomposition of the perovskite structure can take place through the statistical formation of molecular defects with a non–ionic character, whose volatility at surfaces should break the thermodynamic defect equilibrium.

Contact person: Ioannis Deretzis, IMM–CNR Catania
Innovative materials and advanced characterization techniques

Methylammonium rotational dynamics in lead halide perovskite by classical molecular dynamics: the role of temperature

An interatomic model potential for molecular dynamics was derived from first–principles and used to study the molecular rotations and relaxation times in methylammonium lead halide, considered the prototypical example of a hybrid crystal with a strong reorientational dynamics. Within the limits of a simple ionic scheme, the potential is able to catch the main qualitative features of the material at zero and finite temperature and opens the way to the development of classical potentials for hybrid perovskites. This work has clarified the temperature dependence of the relaxation times and the interpretation of the experimental data in terms of the different mechanisms contributing to the molecule dynamics.

Contact person: Alessandro Mattoni, IOM–CNR Cagliari
Innovative materials and advanced characterization techniques

Tunable spin polarization and superconductivity in engineered oxide interfaces

We have shown that a fully electric–field–tunable spin–polarized and superconducting quasi–2D electron system (q2DES) can be artificially created by inserting a few unit cells of delta doping EuTiO3 at the interface between LaAlO3 and SrTiO3 oxides. Spin polarization emerges below the ferromagnetic transition temperature of the EuTiO3 layer (TFM = 6–8 K) and is due to the exchange interaction between the magnetic moments of Eu–4f and of Ti–3d electrons. Moreover, in a large region of the phase diagram, superconductivity sets in from a ferromagnetic normal state. The occurrence of magnetic interactions, superconductivity and spin–orbit coupling in the same q2DES makes the LaAlO3/EuTiO3/SrTiO3 system an intriguing platform for the emergence of novel quantum phases in low–dimensional materials.

Contact person: Marco Salluzzo, SPIN–CNR Napoli
Innovative materials and advanced characterization techniques