First-principles investigation on the structural, electronic, mechanical and optical properties of silver based perovskite AgXCl3 (X= Ca, Sr)

First-principles investigation on the structural, electronic, mechanical and optical properties of silver based perovskite AgXCl3 (X= Ca, Sr)

Structural, electronic, optical and elastic properties of Silver based Perovskite AgXCl3 (X = Ca, Sr) are studied by utilizing wien2k package with in DFT. The structural investigation reveals their stability and shows that these compounds are cubic with space group pm-3m 221. For electronic properti...

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Bibliographic Details
Main Authors: Umar Ayaz Khan, Naimat Ullah Khan, Abdullah, Abdulaziz H. Alghtani, Vineet Tirth, Sara J. Ahmed, Muhammad Sajjad, Ali Algahtani, Tahir Shaheed, Abid Zaman
Format: Article
Language:English
Published: Elsevier 2022-09-01
Series:Journal of Materials Research and Technology
Subjects:
Wien2k
Optoelectronics devices
Elastic properties
Dielectric function
Online Access:http://www.sciencedirect.com/science/article/pii/S2238785422013333

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http://www.sciencedirect.com/science/article/pii/S2238785422013333

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