Effect of Magnetization on Ferrromagnetic and Antiferromagnetic for NiO Properties Using Quantum ESPRESSO Package

Abstract

The magnetic properties of NiO as ferromagnetic and antiferromagnetic behavior were studied as implemented in the quantum ESPRESSO package. From density of state curves it was observed that ferromagnetic materials have high density of state (DOS) than antiferromagnetic materials at the same value of magnetization. Also from band structure diagram found that there is no any difference between band gap of NiO as ferromagnetic and antiferromagnetic materials, It is direct band gap within quantum ESPRESSO.