Investigation of the structural, electronic, thermoelectric and optoelectronic properties of bulk BiSb $$(Te_{1-x}Se_x)_3$$ ( T e 1 - x S e x ) 3 alloys: DFT approach

Investigation of the structural, electronic, thermoelectric and optoelectronic properties of bulk BiSb $$(Te_{1-x}Se_x)_3$$ ( T e 1 - x S e x ) 3 alloys: DFT approach

Abstract This work investigates the structural, electronic, thermoelectric, and optoelectric properties of a solid solution of BiSb( $$Te_{1-x}Se_x)_3$$ T e 1 - x S e x ) 3 . The properties of this alloy were calculated using Density Functional Theory within the GGA and TB-mBJ for the exchange-corre...

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Bibliographic Details
Main Authors: Oghenekevwe Timothy Uto, Meryem Ziati, Muyiwa Kehinde Bamgbose, Hamid Ez-Zahraouy
Format: Article
Language:English
Published: Springer 2025-08-01
Series:Discover Materials
Subjects:
TE
Electronic band structure
Formation energy
Optical properties
Online Access:https://doi.org/10.1007/s43939-025-00265-z
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