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首页> 外文期刊>Advanced Functional Materials >Halide Double-Perovskite Light-Emitting Centers Embedded in Lattice-Matched and Coherent Crystalline Matrix
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Halide Double-Perovskite Light-Emitting Centers Embedded in Lattice-Matched and Coherent Crystalline Matrix

机译：嵌入晶格匹配且相干的晶体矩阵中的卤化物双钙钛矿发光中心

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摘要

Through first-principles calculations, it is found that two lattice-matched halide double-perovskites, Cs2NaBiBr6 and Cs2AgBiBr6, have a type-I band alignment and can form highly miscible alloys in which the disordering makes the bandgaps become direct and activates the direct transition from the valence to conduction band edge, leading to a strong optical absorption and high radiative recombination rate. The bandgaps of the alloys are tunable in a wide range of 1.93-3.24 eV, while the lattice constants remain unchanged. This advantage inspires the design of a coherent crystalline matrix based on Cs-2(Na,Ag)BiBr6 alloys, in which the Ag-rich and narrower-bandgap regions are embedded in the Na-rich and wide-bandgap region with lattice-matched and coherent interfaces. The type-I band alignment drives the photogenerated excitons into the narrower-bandgap Ag-rich regions, so the regions become light-emitting centers with a high photoluminescence quantum yield (PLQY). The bandgaps of the Ag-rich regions are tunable, so the color of emitted light can be adjusted, making a broadband emission possible. Such kind of coherent crystalline matrix with high-PLQY and broadband emission can also be fabricated based on the alloys of other lattice-matched halide double-perovskites, demonstrating the flexibility of band structure engineering in the coherent heterostructures of various halide double-perovskites.
机译：通过第一性原理计算，发现两个晶格匹配的卤化物双钙钛矿Cs2NaBiBr6和Cs2AgBiBr6具有I型能带排列并可以形成高度易溶的合金，其中无序使能带隙变得直接并激活了直接跃迁。从化合价到导带边缘，导致强的光吸收和高的辐射复合率。合金的带隙可在1.93-3.24 eV的宽范围内调节，而晶格常数保持不变。这一优势激发了基于Cs-2（Na，Ag）BiBr6合金的相干晶体基质的设计，其中富Ag和窄带隙区域嵌入晶格匹配的富Na和宽带隙区域和连贯的界面。 I型能带排列将光生激子驱动到带隙较窄的富Ag区域，因此这些区域成为具有高光致发光量子产率（PLQY）的发光中心。富银区域的带隙可调，因此可以调节发射光的颜色，从而可以进行宽带发射。这种具有高PLQY和宽带发射的相干晶体基质也可以基于其他晶格匹配的卤化物双钙钛矿的合金制造，这证明了带结构工程在各种卤化物双钙钛矿相干异质结构中的灵活性。

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  • 来源
    《Advanced Functional Materials》 |2020年第17期|2000653.1-2000653.8|共8页
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    East China Normal Univ Key Lab Polar Mat & Devices MOE Shanghai 200241 Peoples R China|East China Normal Univ Dept Elect Shanghai 200241 Peoples R China;

    East China Normal Univ Key Lab Polar Mat & Devices MOE Shanghai 200241 Peoples R China|East China Normal Univ Dept Elect Shanghai 200241 Peoples R China|Shanxi Univ Collaborat Innovat Ctr Extreme Opt Taiyuan 030006 Shanxi Peoples R China;

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  • 正文语种 eng
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  • 关键词

    coherent heterostructures; first-principles calculations; halide double-perovskites; photoluminescence; semiconductor alloys;

    机译：相干异质结构第一性原理计算;卤化物双钙钛矿;光致发光半导体合金;

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