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首页> 外文期刊>Physical chemistry chemical physics: PCCP >Structure dependent optoelectronic properties of monolayer antimonene, bismuthene and their binary compound
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Structure dependent optoelectronic properties of monolayer antimonene, bismuthene and their binary compound

机译：单层锑，Biscuthene及其二元化合物的结构依赖性光电性能

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摘要

Two-dimensional (2D) antimonene, bismuthene, and their binary compound 2D BiSb possess high spin-orbit coupling (SOC) and potential topological insulator properties upon engineering their structural and chemical properties. Based on many-body first-principles calculations, we show that these materials can exhibit isotropic or anisotropic optoelectronic properties depending on their geometry, i.e. buckled (hb) or asymmetrical washboard (aw) phases. SOC significantly alters their optoelectronic properties, which is predominantly evident in 2D bismuthene. hb-antimonene absorbs light in the visible and partially in the ultraviolet regimes, while the absorption band edge for aw-antimonene, hb- and aw-bismuthene is set at the infrared region, absorption being spread as a broadband optical response through the spectral range. An exciton binding with 0.18 eV energy is detected for hb-bismuthene. Due to their broadband optical response, antimonene, bismuthene, and their binary compound offer possibilities towards applications as 2D materials in solar cells, light-emitting devices, photodetectors and light modulation.
机译：二维（2D）antimonene，bismuthene，以及它们的二元化合物2D BISB具有高自旋轨道耦合（SOC）并且在工程它们的结构和化学性质潜在拓扑绝缘体的性质。基于多体第一性原理计算，我们表明，这些材料可以显示各向同性或各向异性的光电特性取决于它们的几何形状，即扣（HB）或不对称的洗衣板（AW）相。 SOC显著改变它们的光电特性，这在2D bismuthene主要是显而易见的。 HB-antimonene吸收在可见和部分地在紫外线光的制度，而对于AW-antimonene，HB-和AW-bismuthene的吸收带边缘被设置在红外区域，吸收被传播通过所述光谱范围内的宽带光响应。对于HB-bismuthene检测到激子与0.18 eV的能量的结合。由于它们的宽带光学响应，antimonene，bismuthene，并且朝向应用为2D的材料在太阳能电池，发光器件，光电检测器和光调制它们的二元化合物提供的可能性。

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