Understanding the ferromagnetic insulating state in Cr doped VO${}_2$

Abstract

Experimentally Cr doping in the rutile phase of VO${}_2$ is found to stabilize a charge ordered ferromagnetic insulating state in the doping range of 10\% to 20\%. In this work, we investigated its origin at 12.5\% Cr doping using a combination of ab-initio electronic structure calculations as well as microscopic modeling. Our calculations are found to reproduce the ferromagnetic insulating state as well as a charge ordering at the V and Cr sites. The mapping of the ab-initio band structure onto a tight-binding Hamiltonian allows one to calculate the energy gain from different exchange pathways. This gain is quantified in this work for the first time and the role of charge ordering in stabilizing a ferromagnetic insulating state is understood.

12 pages, 4 figures, 2 tables

References in corpus (6)

• Layer-dependent Ferromagnetism in a van der Waals Crystal down to the Monolayer Limit
• Discovery of intrinsic ferromagnetism in 2D van der Waals crystals
• Orbital-assisted metal-insulator transition in VO${}_2$
• Ferromagnetic van der Waals crystal VI3
• Electronic Structure, Phonons and Dielectric Anomaly in Ferromagnetic Insulating Double Perovskite La2NiMnO6
• Ferromagnetism above 1000 K in highly cation-ordered double-perovskite insulator Sr3OsO6

Cited by in corpus (2)

• Electronic phase diagram of Cr-doped VO2 epitaxial films studied by in situ photoemission spectroscopy
• Contrasting magnetism in VPS3 and CrI3 monolayers with the common honeycomb S = 3/2 spin lattice