Electronic and optical behaviour of anisotropic Nd2NiMnO6 double perovskite: A first principle study. (November 2021)

• Record Type: Journal Article
• Authors: Abass, Shohaib; Najar, Feroz A.; Samad, Rubiya; Sultan, Khalid
• Is Part Of: Solid state communications. Volume 338(2021)
• Publication Date: 2021-11
• Subjects: Dielectric function -- Susceptibility -- Anisotropy -- Semiconductor; Solid state chemistry -- Periodicals; Solid state physics -- Periodicals; Chimie de l'état solide -- Périodiques; Physique de l'état solide -- Périodiques; 530.41
• DOI: 10.1016/j.ssc.2021.114463
• Languages: English
• ISSNs: 0038-1098

Abstract

Abstract: Double perovskites are interesting in the field of material sciences because of their multifunctional properties. Different researches have been done and several investigations have been carried out to explore these compounds. Here in this paper, we have explored one of the less investigated compounds i.e., Nd2 NiMnO6 . Although few experimental studies have been made and some results have been pointed out, still we are going to explore some properties of Nd2 NiMnO6 using Density Functional Approach. Band structure and density of state (DOS) studies of the material in spin up and spin down channels disclose the semiconducting behavior of Nd2 NiMnO6 . The variation of dielectric constant with frequency and the variation of susceptibility with wavelength have also been presented with the explainable trends. The results also reveal the anisotropic nature in dielectric function and susceptibility of the compound. Highlights: The manuscript highlights the below mentioned novel ideas in the research field of materials science. Band structure and DOS studies suggest the semiconducting nature of material. The material exhibits anisotropic behavior in case of dielectric properties as well as susceptibility. High value of static dielectric constant suggests the use of the material in low frequency oriented devices.