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Critical difference between optoelectronic properties of α‐ and β‐SnWO 4 semiconductors: A DFT/HSE06 and experimental investigation (Phys. Status Solidi B 6/2016)
Author(s) -
Harb Moussab,
Ziani Ahmed,
Takanabe Kazuhiro
Publication year - 2016
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201670536
Subject(s) - semiconductor , optoelectronics , materials science , band gap , charge carrier , density functional theory , hybrid functional , dielectric , absorption (acoustics) , photon , chemistry , physics , computational chemistry , optics , composite material
Solar energy conversion technology using semiconductors requires the transformation of a wide range of photons present in the solar spectrum into electricity or chemicals. This transformation involves a “complex” mechanism which proceeds via multiple steps, starting from photon absorption, electron–hole pair separation, charge carrier diffusion and transport. In this regard, semiconductor synthesis of visiblelight‐ responsive materials has gained tremendous attentions. Some oxides containing the element Sn 2+ absorb a substantial amount of visible light, and have great potential to function as efficient solar‐energy‐conversion materials. The optoelectronic properties of α‐ and β‐SnWO 4 were investigated in detail by Harb, Ziani, and Takanabe ( pp. 1115–1119 ) using both experiments on thin films and first‐principles quantum calculations based on the density functional theory employing the range‐separated hybrid exchange‐correlation (HSE06) functional. The investigation shed light on the benefits and drawbacks of the optoelectronic properties of SnWO 4 including bandgap, absorption coefficient, dielectric constant and charge‐carrier effective masses.