Abstract
Vol 2 Issue 11
Computational Perspective on Physical Aspects of Anti-pervoskite Compounds Using ab-initio Study
Pages: 298-316
Doi: 10.54738/MI.2022.21101
Doi URL: http://doi.org/10.54738/MI.2022.21101
ABX3 perovskites, the biggest family of crystalline materials, have received enormous research attention on a global scale, mainly due to their extensive multifunctionality and the fascinating scientific principles that underlie them. While, anti-perovskites (X3BA), are technically inverted perovskite derivatives, they are a significant family of useful materials. Anti-perovskites display a wide range of unusual physical and chemical properties, inheriting the adaptable structural characteristics of perovskites while being rich in cations at X sites. These compounds received less attention, thus systematic assessment is urgently required to widespread its applications. This article summarizes recent developments in innovative anti-perovskite materials application and their properties, including, superconductivity magnetic, electric, elastic, and optical properties. In this critical review, we first overview the reported compositions, structural stabilities, and ionic conductivities of anti-perovskites. We then discuss the different properties related to Anti-perovskites. We close by reviewing the use of anti-perovskites Lithium-ion batteries and suggest some practices for the community to consider.
Keywords: Anti-pervoskite,Computational,ab-initio
Materials Innovations (MI) is an interdisciplinary journal devoted to significant experimental and theoretical findings on the synthesis, structure, charachterization, processing and applications of materials. Materials Innovations is dedicated to publishing peer reviewed novel, cutting edge reports of broad interest to the materials science community.