Electronic, optical, magneto-optical, and thermoelectric properties of the SrS graphene-like under Cr impurity

The Cr effects on electronic, optical, magneto-optical and thermoelectric properties of SrS graphene-like are discussed. The SrS graphene-like is a stable crystalline structure in static and dynamic viewpoints. The SrS graphene-like is a p-type semiconductor with 2.1 eV energy gap, and it is transfo...

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Bibliographic Details
Published in:Chemical physics 2021-11, Vol.551, p.111355, Article 111355
Main Authors: Yari, Arash, Boochani, Arash, Rezaee, Sahar
Format: Article
Language:English
Subjects:
DFT
Electronic
Magneto-Optic
SrS-Cr graphene-like
Thermoelectric
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Summary:The Cr effects on electronic, optical, magneto-optical and thermoelectric properties of SrS graphene-like are discussed. The SrS graphene-like is a stable crystalline structure in static and dynamic viewpoints. The SrS graphene-like is a p-type semiconductor with 2.1 eV energy gap, and it is transformed into a half-metal with 100% spin polarization by substituting the Cr impurity. The static value of the dielectric function represents the semiconductor behavior for SrS–Cr graphene-like. The values of the dielectric function at energies between 7 and 10 eV reach one and less than one. Due to the magnetic nature of this compound, the Kerr angle in the range of 4 to 5 eV has a large negative peak, creating a large polarization. Moreover, from a thermoelectric point of view, the figure of merit is a significant number at temperatures above the room temperature in the range of 500 to 600 K and it is about 0.9 at 500 K.
ISSN:0301-0104
DOI:10.1016/j.chemphys.2021.111355