Fe-substituted indium thiospinels: New intermediate band semiconductors with better absorption of solar energy

Аннотация

The indium thiospinels In2S3 and MgIn2S4 are promising host for the intermediated band (IB)photovoltaic materials due to their ideal band gap value. Here, the optical properties and electronic structure of Fe-doped In2S3 and MgIn2S4 have been investigated. All the Fe-substituted semiconductors exhibit two additional absorption bands at about 0.7 and 1.25 eV, respectively. Theresults of first-principles calculations revealed that the Fe substituted at the octahedral In site wouldintroduce a partially filled IB into the band gap. Thanks to the formation of IB, the Fe-substitutedsemiconductors have the ability to absorb the photons with energies below the band gap. With thewide-spectrum absorption of solar energy, these materials possess potential applications inphotovoltaic domain