Band gap engineering and electronic structure of Cu2Ni(Sn,Ge,Si)Se4 kesterites: A DFT perspective on new earth-abundant semiconductors for high-performance photovoltaics

Band gap engineering and electronic structure of Cu2Ni(Sn,Ge,Si)Se4 kesterites: A DFT perspective on new earth-abundant semiconductors for high-performance photovoltaics

This work presents a systematic first-principles investigation of the electronic structure and bandgap modulation in Cu2Ni(Sn,Ge,Si)Se4 kesterites using density functional theory (DFT). Geometry optimizations were performed using the SCAN functional, followed by electronic structure calculations wit...

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Bibliographic Details
Main Authors: Iskandar Raufov, Dilshod Nematov, Saidjaafar Murodzoda, Anushervon Ashurov, Sakhidod Sattorzoda
Format: Article
Language:English
Published: Elsevier 2025-07-01
Series:Next Materials
Subjects:
Solar cells
Kesterites
Electronic structure
Earth-abundant semiconductors
Bandgap engineering
SCAN
Online Access:http://www.sciencedirect.com/science/article/pii/S2949822825003041
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