A theoretical study of new polar and magnetic double perovskites for photovoltaic applications

Author:

Rahmani Neda12ORCID,Shabani Alireza32ORCID,Adam Jost2ORCID

Affiliation:

1. Niels Bohr International Academy, Niels Bohr Institute, University of Copenhagen, Jagtvej 160, København Ø 2100, Denmark

2. Computational Materials Group, SDU Centre for Photonics Engineering, University of Southern Denmark, Campusvej 55, Odense 5230, Denmark

3. Department of Electrical and Photonics Engineering, Photonic Nanotechnology, NanoPhoton – Center for Nanophotonics, DTU, Ørsteds Plads, 345A, 276, Kgs. Lyngby 2800, Denmark

Abstract

Herein, the authors theoretically investigate the structural, electronic, magnetic, and optical properties of new double perovskites Sn2{Mn,FE}TaO6. Their stability, band gaps, and high absorption coefficients suggest them for future photovoltaics.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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