Long Radiation Lifetime and Quasi-Isotropic Excitons in Antioxidant V–V Binary Phosphorene Allotropes with Intrinsic Dipole,The Journal of Physical Chemistry C

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Long Radiation Lifetime and Quasi-Isotropic Excitons in Antioxidant V–V Binary Phosphorene Allotropes with Intrinsic Dipole
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2020-06-10 , DOI: 10.1021/acs.jpcc.0c03156
Yadong Wei ₁ , Yingjie Jiang ₂ , Kaijuan Pang ₁ , Xiaodong Xu ₁ , Ngeywo Tolbert Kaner ₁ , Xingji Li ₃ , Jianqun Yang ₃ , Guiling Zhang ₂ , Weiqi Li _{1,

4} , Yongyuan Jiang _{1,

4,

5,

6} , Wei Quan Tian ₇

Affiliation

Two-dimensional (2D) V–V binary materials are gaining extensive attention because of high carrier mobility, largely tunable optical exciton properties, and high sensitivity to optical excitation. However, the luminescence efficiency and the radiation lifetime of black phosphorus are limited because of the high anisotropy feature of excitons. In addition, the effect of intrinsic dipole on the exciton behavior in these materials has yet to be explored. In the present work, the excitonic properties of α-, β-, γ-, and δ-phase 2D V–V nitrogen–phosphorus binary allotropes are explored using the Bethe–Salpeter equations combined with G₀W₀ approximation systematically. The nitrogen substitution leads to the significantly modified electronic properties, including the increased oxidation activation energy from 0.03 to 0.40 eV, the enlarged band gap and direct-to-indirect band structure. It also leads to the reduced anisotropy but the opposite excitonic behavior due to the different introduction of intrinsic dipole between the α and β phases, including the brightness, radiation lifetime, effective mass, and real-space distribution. Because of high stability, long lifetime, and highly localized exciton states, the V–V binary materials with various phases have wide potentials for multifunctional and integrated applications.

中文翻译：

内在偶极抗氧化剂V-V二元磷同素异形体的长辐射寿命和准各向同性激子

二维（2D）V–V二元材料因其高载流子迁移率，很大程度上可调谐的光激子特性以及对光激发的高灵敏度而受到广泛关注。然而，由于激子的高各向异性特征，黑磷的发光效率和辐射寿命受到限制。此外，本征偶极子对这些材料中激子行为的影响尚待探索。在目前的工作中，使用Bethe-Salpeter方程结合G ₀W ₀探索了α-，β-，γ-和δ相2D V–V氮-磷二元同素异形体的激子性质。系统地近似。氮取代导致显着改变的电子性质，包括从0.03到0.40 eV的氧化活化能增加，带隙增大和直接-间接带结构。它还会导致各向异性降低，但由于在α相和β相之间引入固有偶极子的方式不同（包括亮度，辐射寿命，有效质量和实际空间分布），激子行为却相反。由于具有高稳定性，长寿命和高度局域的激子态，具有不同相的V–V二元材料在多功能和集成化应用中具有广阔的潜力。

更新日期：2020-07-09

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