Citation
García Moreno, Gregorio and Sánchez-Palencia Vallejo, Pablo and Palacios Clemente, Pablo and Wahnón Benarroch, Perla
(2020).
Transition Metal-Hyperdoped InP Semiconductors as Efficient Solar Absorber Materials.
"Nanomaterials", v. 10
(n. 2);
pp..
ISSN 2079-4991.
https://doi.org/10.3390/nano10020283.
Abstract
This work explores the possibility of increasing the photovoltaic efficiency of InP semiconductors through a hyperdoping process with transition metals (TM = Ti, V, Cr, Mn). To this end, we investigated the crystal structure, electronic band and optical absorption features of TM-hyperdoped InP (TM@InP), with the formula TMxIn1-xP (x = 0.03), by using accurate ab initio electronic structure calculations. The analysis of the electronic structure shows that TM 3d-orbitals induce new states in the host semiconductor bandgap, leading to improved absorption features that cover the whole range of the sunlight spectrum. The best results are obtained for Cr@InP, which is an excellent candidate as an in-gap band (IGB) absorber material. As a result, the sunlight absorption of the material is considerably improved through new sub-bandgap transitions across the IGB. Our results provide a systematic and overall perspective about the effects of transition metal hyperdoping into the exploitation of new semiconductors as potential key materials for photovoltaic applications.