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Journal of Computational Electronics
Published in:

10-08-2024

Theoretical prediction of the mechanical, electronic, optical and thermodynamic properties of antiperovskites A3BO (A = K, Rb and B = Au, Br) using DFT scheme: new candidate for optoelectronic devices application

Authors: Salah Uddin, Akash Das, M. A. Rayhan, Sohail Ahmad, Rashel Mohammad Khokan, Md. Rasheduzzaman, Remon Das, Aasim Ullah, Yasir Arafat, Md. Zahid Hasan

Published in: Journal of Computational Electronics | Issue 6/2024

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Metadata
Title
Theoretical prediction of the mechanical, electronic, optical and thermodynamic properties of antiperovskites A3BO (A = K, Rb and B = Au, Br) using DFT scheme: new candidate for optoelectronic devices application
Authors
Salah Uddin
Akash Das
M. A. Rayhan
Sohail Ahmad
Rashel Mohammad Khokan
Md. Rasheduzzaman
Remon Das
Aasim Ullah
Yasir Arafat
Md. Zahid Hasan
Publication date
10-08-2024
Publisher
Springer US
Published in
Journal of Computational Electronics / Issue 6/2024
Print ISSN: 1569-8025
Electronic ISSN: 1572-8137
DOI
https://doi.org/10.1007/s10825-024-02213-1

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Conductance characteristics of naphthopyran as a light-sensitive molecular optical junction: a joint NEGF-DFT and TD-DFT study

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