Transition Metal-Hyperdoped InP Semiconductors as Efficient Solar Absorber Materials

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@I...

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Bibliographic Details
Published in:Nanomaterials (Basel, Switzerland) Switzerland), 2020-02, Vol.10 (2), p.283
Main Authors: García, Gregorio, Sánchez-Palencia, Pablo, Palacios, Pablo, Wahnón, Perla
Format: Article
Language:English
Subjects:
dft
in-gap band
inp
photovoltaic
transition metal-hyperdoped
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Summary: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.
ISSN:2079-4991
2079-4991
DOI:10.3390/nano10020283