Berlin 2024 – scientific programme
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TT: Fachverband Tiefe Temperaturen
TT 16: 2D Materials I: Electronic Structure (joint session O/TT)
TT 16.8: Talk
Monday, March 18, 2024, 16:45–17:00, MA 005
Orbital character and ground-state electronic properties in van der Waals semiconductors VI3 and CrI3 — •Alessandro De Vita1,2, Thao Nguyen3, Roberto Sant4, Gian Marco Pierantozzi1, Danila Amoroso5, Chiara Bigi1,6, Vincent Polewczyk1, Giovanni Vinai1, Loi Nguyen7, Tai Kong7, Jun Fujii1, Ivana Vobornik1, Nicholas Brookes4, Giorgio Rossi1,2, Robert Cava7, Federico Mazzola1, Kunihiko Yamauchi3, Silvia Picozzi5, and Giancarlo Panaccione1 — 1IOM-CNR, Laboratorio TASC, Trieste, Italy — 2Dipartimento di Fisica, Università di Milano, Italy — 3ISIR, Osaka University, Japan — 4ESRF, Grenoble, France — 5CNR-SPIN c/o Università G. D'Annunzio, Chieti, Italy — 6University of St Andrews, United Kingdom — 7Department of Chemistry, Princeton University, NJ USA
Layered van der Waals magnetic semiconductors CrI3 and VI3 hold promise for novel electronic and spintronic 'few-layers' functionalities; however, detailed experimental information on the electronic structure, the interplay with relevant interactions (e.g. spin-orbit coupling), and the crossover of 3D vs 2D properties, is lacking. By combining X-ray electron spectroscopies and density functional theory calculations, we report a complete characterization of CrI3 and VI3 electronic ground states. We show that the transition metal-induced orbital filling drives the stabilization of distinct phases. X-ray absorption measurements on VI3 reveal that its electronic properties are strongly influenced by dimensionality effects. Our results have direct implications in band engineering and layer-dependent properties of two-dimensional systems.
Keywords: van der Waals systems; ARPES; Electronic structure