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铁掺杂诱导的Cs2AgBiBr6单晶中的能带结构改性和低温相稳定性

Fe-doping-induced band structure modification and cryogenic phase stability in Cs2AgBiBr6 single crystals

Yanan Li, Xuejiao Wu, Jidong Deng, Jinbao Zhang

arXiv 2607.23456首次发表:更新:

AI 中文总结

研究Cs2AgBiBr6因宽带隙和本征缺陷在光电子应用受限的问题,通过改进水热法合成铁掺杂单晶,发现铁掺杂可同时缩小带隙、抑制低温结构不稳定性,是调整其性质的有力策略,推进其在相关器件中的潜力。

AI 中文摘要

尽管Cs2AgBiBr6作为无铅替代品有前景,但因其宽带隙和有害本征缺陷,在光电子学中的实际应用受限。为克服这些挑战,我们通过改进的水热法合成了Cs2AgBi0.5Fe0.5Br6单晶。原始和铁掺杂晶体在125K附近都经历结构相变,但铁掺入从根本上改变了其影响。掺杂剂同时缩小高温相的带隙并抑制相关的低温结构不稳定性。我们的光学和X射线结构研究表明铁掺杂是调整Cs2AgBiBr6性质的有力策略,提升了其在高性能低温光电子和自旋电子器件中的潜力。

英文摘要

Despite its promise as a lead-free alternative, the practical application of Cs2AgBiBr6 in optoelectronics is limited by its wide band gap and detrimental intrinsic defects. To overcome these challenges, we synthesized Cs2AgBi0.5Fe0.5Br6 single crystals via a modified hydrothermal method. While both pristine and Fe-doped crystals undergo a structural phase transition near 125 K, Fe incorporation fundamentally alters its impact. The dopant simultaneously narrows the band gap in the high-temperature phase and suppresses the associated cryogenic structural instability. Our optical and X-ray structural studies establish Fe doping as a powerful strategy for tailoring the properties of Cs2AgBiBr6 , advancing its potential for high-performance, low-temperature optoelectronic and spintronic devices.

Journal refSolid State Communications, Volume 409, 2026,116319, ISSN 0038-1098

DOI:10.1016/j.ssc.2026.116319

论文原文

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