Electronic structure and magnetic exchange interactions of Cr-based van der Waals ferromagnets. A comparative study between CrBr<sub>3</sub> and Cr<sub>2</sub>Ge<sub>2</sub>Te<sub>6</sub>
Adolfo O. Fumega, S. Blanco-Canosa, V. Hari Babu, Pierluigi Gargiani, Hongze Li, Jianshi Zhou, F. Rivadulla, Víctor Pardo
Abstract
<italic>Ab initio</italic> calculations and high-pressure experiments unveil the microscopic mechanism behind the magnetic properties of two Cr-based van der Waals ferromagnets that have different electronic structure.
Topics & Concepts
van der Waals forceFerromagnetismMaterials scienceCondensed matter physicsElectronic structureAb initioAb initio quantum chemistry methodsPhysicsQuantum mechanicsMolecule2D Materials and ApplicationsMXene and MAX Phase MaterialsGraphene research and applications