Theoretical analysis of electronic, optical, photovoltaic and thermoelectric properties of AgBiS2
L Mehdaoui, R Miloua, M Khadraoui… - Physica B: Condensed …, 2019 - Elsevier
The present work aims at investigating the electronic, optical, photovoltaic and
thermoelectric properties of AgBiS 2 compound using the density functional theory (DFT)
and the modified Becke-Johnson exchange-correlation potential (mBJ). Both hexagonal
Matildite and cubic Schapbachite polymorphs were considered. The hexagonal phase is
found to be indirect gap semiconductor with band gap energy of about 1.07 eV and high
absorption coefficient of 10 6 cm− 1, whereas the cubic phase were metallic. The analysis of …
thermoelectric properties of AgBiS 2 compound using the density functional theory (DFT)
and the modified Becke-Johnson exchange-correlation potential (mBJ). Both hexagonal
Matildite and cubic Schapbachite polymorphs were considered. The hexagonal phase is
found to be indirect gap semiconductor with band gap energy of about 1.07 eV and high
absorption coefficient of 10 6 cm− 1, whereas the cubic phase were metallic. The analysis of …
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