Types of Perovskite Materials

Naqvi, Faria K.; Khan, Yashfeen; Beg, Saba; Ahmad, Anees

doi:10.1002/9781119763376.ch9

Cited by 1 publication

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“…Perovskite oxides, with their distinctive ABX3 crystal structure, have become a focal point in materials research due to their intriguing physical and chemical properties [6][7][8]. The general perovskite structure consists of an A-site cation, a B-site cation, and an oxygen framework.…”

Section: Perovskite Oxides: a Brief Overviewmentioning

confidence: 99%

First Principle Calculations of Structural, Electronic, and Optical Properties of MgAlO3: A Perovskite Oxide

2023

Proceeding Book of 3rd International Conference on Scientific and Academic Research ICSAR 2023

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This paper presents a comprehensive exploration of the electronic structure and properties of magnesium aluminate (MgAlO3), a perovskite oxide with significant potential for diverse applications. Leveraging the power of Density Functional Theory (DFT), we delve into the fundamental aspects of MgAlO3, unravelling its electronic band structure, density of states, and defect properties. The electronic structure calculations offer valuable insights into the material's conductivity, optical characteristics, and bandgap, essential for understanding its suitability in electronic devices and other technological domains. Furthermore, the study investigates the stability of MgAlO3 under different conditions and explores the impact of defects, such as vacancies and dopants, on its properties. Through DFT simulations, we provide a detailed analysis of the interplay between electronic structure and defect engineering, offering a roadmap for tailoring MgAlO3 to specific applications. This research bridges the gap between theory and experiment, contributing to the broader understanding of perovskite oxides and facilitating the informed design of materials for future technological advancements. The investigation of the structural, electronic, and optical properties of the crystal structure was made using the Wien2k computer package program.

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Section: Perovskite Oxides: a Brief Overviewmentioning

confidence: 99%

First Principle Calculations of Structural, Electronic, and Optical Properties of MgAlO3: A Perovskite Oxide

2023

Proceeding Book of 3rd International Conference on Scientific and Academic Research ICSAR 2023

View full text Add to dashboard Cite

show abstract

Types of Perovskite Materials

Cited by 1 publication

References 27 publications

First Principle Calculations of Structural, Electronic, and Optical Properties of MgAlO3: A Perovskite Oxide

First Principle Calculations of Structural, Electronic, and Optical Properties of MgAlO3: A Perovskite Oxide

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