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Large enhancement of the photovoltaic effect in ferroelectric complex oxides through bandgap reduction

机译:通过带隙还原大大增强铁电复合氧化物中的光伏效应

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摘要

Tuning the bandgap in ferroelectric complex oxides is a possible route for improving the photovoltaic activity of materials. Here, we report the realization of this effect in epitaxial thin films of the ferroelectric complex oxide Bi3.25La0.75Ti3O12 (BLT) suitably doped by Fe and Co. Our study shows that Co (BLCT) doping and combined Fe, Co (BLFCT) doping lead to a reduction of the bandgap by more than 1 eV compared to undoped BLT, accompanied by a surprisingly more efficient visible light absorption. Both BLCT and BLFCT films can absorb visible light with a wavelength of up to 500 nm while still exhibiting ferroelectricity, whereas undoped BLT only absorbs UV light with a wavelength of less than 350 nm. Correlated with its bandgap reduction, the BLFCT film shows a photocurrent density enhanced by 25 times compared to that of BLT films. Density functional theory calculations indicate that the bandgap contraction is caused by the formation of new energy states below the conduction bands due to intermixed transition metal dopants (Fe, Co) in BLT. This mechanism of tuning the bandgap by simple doping can be applied to other wide-bandgap complex oxides, thereby enabling their use in solar energy conversion or optoelectronic applications.
机译:调整铁电复合氧化物中的带隙是改善材料光伏活性的可能途径。在此,我们报告了在铁和钴适当掺杂的铁电复合氧化物Bi3.25La0.75Ti3O12(BLT)的外延薄膜中实现此效应的研究。我们的研究表明,Co(BLCT)掺杂和Fe,Co(BLFCT)的组合与未掺杂的BLT相比,掺杂可将带隙降低超过1 eV,并伴随着令人惊讶的更有效的可见光吸收。 BLCT和BLFCT膜均可以吸收波长高达500 nm的可见光,同时仍显示出铁电性,而未掺杂的BLT仅吸收波长小于350 nm的紫外光。与能带隙减小相关,BLFCT膜的光电流密度比BLT膜高25倍。密度泛函理论计算表明,带隙收缩是由BLT中混合的过渡金属掺杂剂(Fe,Co)在导带以下形成新的能态引起的。这种通过简单掺杂来调节带隙的机制可以应用于其他宽带隙复合氧化物,从而使其能够用于太阳能转换或光电应用中。

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