Teaming up to advance materials science
Strongly correlated electron (SCE) systems are among the most fascinating and challenging topics of research in condensed matter physics. Transition metal oxides are among the SCE materials of great interest as potential building blocks of the next generation of micro- and nanoelectronics. With this in mind, the EU-funded project ATHENA (Advanced theories for functional oxides: New routes to handle the devices of the future) fostered collaboration between some of the best labs in Europe and India. European partners initially developed methodologies for analyses of numerous ab initio or first principles models. They focused on density functional theory – one of the most commonly used computational tools for studying and predicting the behaviour of isolated molecules and bulk materials. Indian partners concentrated on modelling post-first principles with the use of many-body models such as Hubbard Hamiltonian techniques, on which most descriptions of correlated electron transport are based. Partners then joined forces to apply the developed methodologies and techniques to exploration of the key structural, electronic, magnetic and thermodynamic properties of SCE systems. Results showed that the combined first principles model approaches were able to investigate the fundamental electronic, magnetic and transport properties of magnetic oxide heterostructures. They assessed the newly developed approach in the description of various interfaces with different functionalities. The goal was to determine whether the integrated first principles model scheme can describe and design oxide systems with enhanced functionalities. The project ran a training school on theoretical methods applied to SCE materials. This mainly targeted doctoral and postdoctoral students. Research outcomes were published in international peer-reviewed journals and disseminated to national and international conference seminars. ATHENA created a critical mass of European and Indian experts devoted to the study of SCE. In doing so, the condensed matter and solid-state communities will be privy to innovative and state-of-the-art methodologies and resources as they develop novel micro- and nanoelectronic devices.
Keywords
Materials science, electronics, transition metal oxides, strongly correlated electron, functional oxides
