Hybrid Organic Magnetic Metal Interfaces
The density functional theory provides a framework with predictive power that can be used to describe organic-metal hybrid systems in a realistic manner.
In this respect, ab initio studies elucidate how the subtle interplay between the electrostatic, the weak van der Waals and the strong chemical interactions determine the geometric, electronic and magnetic structure of hybrid organic-metal interfaces.
More precisely, the interaction between the π-like electronic cloud of organic materials with the magnetic states of a metal influences the (i) spin-polarization, (ii) magnetic exchange coupling, (iii) magnetic moments and (iv) their orientation at the hybrid interfaces. In this talk I will briefly summarize how first-principles calculations (i) provide the basic insights needed to interpret surface-science experiments and (ii) are a key tool to design novel materials with tailored properties that can be integrated in carbon-based spintronic devices.
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