Abstract
The electro-optical and thermoelectric properties of the Ag2MnGeS4_Kesterite were investigated via the density functional theory DFT. N-type direct semiconductor in the Г point with a value of 1.44 eV was observed through the calculated bandgap structure. The N-type semiconductor was proved by the negative sign of the Seebeck coefficient. High absorption values of about 74 % and 66 % in the UV region and low values of about 20 % and 21 % in the visible range, were noticed for [100] and [001] directions, respectively. The optical bandgap energy was about 1.61 eV and 1.53 eV, following [100] and [001] directions, respectively. A large transmittance spectrum is presented by the studied semiconductor that collects the entire spectrum of sunlight, allowing this material to be a promising candidate for photovoltaic, as an absorber donor active layer, and for coating materials. Additionally, the thermoelectric results obtained in this study make Ag2MnGeS4_Kesterite a good material for direct temperature gradient-to-electricity conversion and electricity-to-temperature gradient conversion.
Published Version
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