Firstly, we predicted the magnetic behavior of a new family of sublimable chloroquinolinate lanthanoid complexes and investigated their performance deposited on different inorganic substrates. This methodology was also applied to other molecular nanomagnets, enriching the diversity of families of magnetic systems that can be incorporated into 2D heterostructures. Through this process we also contributed to the physical understanding of some of their decoherence processes, in particular, the key role of vibrations in spin-relaxation processes and the effect of magnetic noise. Regarding 2D and vdW layered materials, we investigated in collaboration with an experimental group the gas sensing properties of a hybrid WS2 material in the presence of different gas species. Subsequently, we explored intralayer and interlayer magnetic interactions in the recently discovered 2D ferromagnets such as CrI3, analyzing their relation with different stackings in bilayers by means of Hubbard-corrected density functional theory calculations. The final step was the modelling of the formation of Yu-Shiba Rusinov bound states, which are sub-gap coherent states of interest in quantum computing, around point defects in 2H-NbSe2, as well as at the interface of hybrid van der Waals heterostructures containing a molecular layer and a NbSe2 monolayer.
The above-mentioned research results have been presented in the following international conferences, workshops, symposiums and seminars (selected):
2019
7th Workshop on 2D Materials. Elche, Spain. “First principles studies on van der Waals magnetic systems” (Invited talk)
Joint Symposium of Nanocohybri and Molspin Cost Actions: Hybrid Devices based on Superconductors and on Molecular Spins. Lisboa, Portugal. “Electronic structure and magnetic anisotropy: from molecular nanomagnets to 2D materials” (Invited talk)
Invited Seminar at Jacobs University (invited by Prof. Kortz). Bremen, Germany. “Lanthanide single-ion magnets and molecular spin qubits based on polyoxometalates”.
Invited Seminar at Universidad Santiago de Chile (invited by Dr. Aravena). Santiago, Chile. “Electronic Structure and Magnetic Anisotropy: from Molecular Nanomagnets to 2D Materials”
2018
43th International Conference on Coordination Chemistry (ICCC). Sendai, Japan. “Lanthanide single-ion magnets and molecular spin qubits based on polyoxometalates” (Contributed talk)
16th International Conference on Molecule-Based Magnets (ICMM). Rio de Janeiro, Brazil. (Poster)
Rising star ICMM2018 Pre-Conference. Rio de Janeiro, Brasil. “Spin states, vibrations and spin relaxation in molecular nanomagnets” (Invited talk)
International Symposium on Metal-Oxo Cluster Sciences: Exploring Novel Possibilities. Tokyo, Japan. “Lanthanide single-ion magnets and molecular spin qubits based on polyoxometalates” (Invited talk)
Invited Seminar at ICMol, University of Valencia (invited by Prof. Coronado). Valencia, Spain. “Introduction to DFT and application to layered materials”.
2017
C2TM Workshop on Advanced Materials & CheMat Doctoral Programme. Lisboa, Portugal. “Rational design and modelling of f-block single-ion magnets” (Invited talk)
The ER also participated in DESY Open Day and Science Night 2017 and shared scientific knowledge and an overview to his research to a general public through informal conversations. More than 10,000 visitors attended this event.
Two popular science articles were written and published in Investigación y Ciencia (“Viaje a universo de dos dimensiones” in September 2018) and Spektrum der Wissenchaft (“Zweidimensional Revolution” in November 2019), the Spanish and German versions of Scientific American, respectively.
