Electronic and Magnetic Structure Study of NiV2O4

Ramandeep Kaur

doi:10.47392/irjash.2021.038

Abstract

Inspired by recent experiments and theoretical work on vanadium spinels, the least investigated vanadium spinel i.e. NiV2O4 has been explored theoretically in this work. The systems is found to have an optimized vanadium- vanadium distance of 2.94 , which is the same as the limit of itinerancy in vanadium spinels. This indicates that the system is sitting exactly at the border between metallic and insulating phase. The calculations show that there is no tetragonal distortion present in it and it would prefer normal spinel structure. The DFT calculations have been performed using GGA approximation.

Highlights

Inspired by recent experiments and theoretical work on vanadium spinels, the least investigated vanadium spinel i.e. NiV2O4 has been explored theoretically in this work
MnV2O4 undergoes a magnetic phase in the order MnV2O4 > FeV2O4 > CoV2O4 making transition at 53 K from collinear ferrimagnetic MnV2O4 the most insulating one and CoV2O4 the order to non-collinear magnetic order accompanied most conducting among the known ferrimagnetic by a structural transition [1], while CoV2O4, vanadium spinels [4,5]
Among the ferrimagnetic without undergoing any structural transition, shows vanadium spinels, the distance dV-V decreases as two magnetic transitions from paramagnetic to one goes from left to right in the periodic table, i.e

Summary

Introduction

Inspired by recent experiments and theoretical work on vanadium spinels, the least investigated vanadium spinel i.e. NiV2O4 has been explored theoretically in this work. In the ferrimagnetic vanadium spinels, of their very unusual magnetic and orbital order. MnV2O4 undergoes a magnetic phase in the order MnV2O4 > FeV2O4 > CoV2O4 making transition at 53 K from collinear ferrimagnetic MnV2O4 the most insulating one and CoV2O4 the order to non-collinear magnetic order accompanied most conducting among the known ferrimagnetic by a structural transition [1], while CoV2O4, vanadium spinels [4,5].

Results

Conclusion