Influence of Orbital Character on the Ground State Electronic Properties in the van Der Waals Transition Metal Iodides VI<sub>3</sub> and CrI<sub>3</sub>
Alessandro De Vita, Thi Phuong Thao Nguyen, Roberto Sant, Gian Marco Pierantozzi, Danila Amoroso, Chiara Bigi, Vincent Polewczyk, Giovanni Vinai, Loi T. Nguyen, Tai Kong, Jun Fujii, I. Vobornik, N. B. Brookes, G. Rossi, R. J. Cava, Federico Mazzola, Kunihiko Yamauchi, Silvia Picozzi, G. Panaccione
Abstract
oxidation state, suggesting that ground state electronic properties are strongly influenced by dimensionality effects. Our results have direct implications in band engineering and layer-dependent properties of two-dimensional systems.
Topics & Concepts
van der Waals forceGround stateElectronic structureTransition metalSpintronicsPhotoemission spectroscopyCondensed matter physicsChemistrySpectroscopyBand gapMaterials scienceChemical physicsX-ray photoelectron spectroscopyAtomic physicsFerromagnetismComputational chemistryPhysicsMoleculeNuclear magnetic resonanceOrganic chemistryQuantum mechanicsCatalysisBiochemistry2D Materials and ApplicationsMXene and MAX Phase MaterialsGraphene research and applications