Magnetic exchange interactions in the molecular orbital spin system NaV2O5 from a distributed moment point of view
The study investigates magnetism in NaV2O5 using a distributed moment approach based on linear response calculations from QSGW band structures. It reveals that exchange interactions between oxygen and vanadium sites are larger than those between vanadium atoms, significantly influencing the critical temperature. This method successfully models the spin dynamics, showing collective excitations consistent with antiferromagnetic ordering.