Pressure induced structural and optical properties of cubic phase SnSe: An investigation for the infrared/mid-infrared optoelectronic devices
Pressure induced structural and optical properties of cubic phase SnSe: An investigation for the infrared/mid-infrared optoelectronic devices
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DOI：
10.1016/j.jallcom.2016.10.120
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发表时间：
2017-02-25
影响因子：
6.2
通讯作者：
Aleem, F.
中科院分区：
文献类型：
--
作者：
Rehman, Sajid Ur;Butt, Faheem K.;Aleem, F.
窄禁带硒化锡（SnSe）是一种在光电、光伏和热电等领域有着广泛应用前景的材料。首次在压力下研究了一种新相立方π-SnSe。通过对pi-SnSe结构施加从0 GPa到40 GPa的单轴静水压力进行了研究。结果表明，在0 ~ 40 GPa范围内，晶格常数、晶胞体积等结构参数与压力呈反比关系，并呈现平滑的递减行为。在不同的外部流体静压（GPa）下，π-SnSe的带隙显示出显著的变化。在0 GPa时，它的带隙性质是直接的，当压力开始从5 GPa增加到30 GPa时，它显示出间接的性质，并且在压力进一步增加时，它开始表现出金属行为（35-40 GPa）。通过对光学性质的详细分析，得出外压可能是增强近/中红外光活性的关键原因。当压力从0增加到40 GPa时，静态介电常数和折射率分别从10.10增加到76.20和3.18增加到8.74。此外，吸收能量随着压力的增加而增加，因为新的峰开始出现。此外，传导率随压力从4.63变化到10.80（1/fs）。光学性质的增强主要是由于压力修改的电子结构的pi-SnSe（立方相）。π-SnSe的结构和光学性质的调谐/操纵表明，这种新的立方相对于基于压力的光电系统具有广泛的应用。(C)2016爱思唯尔B. V.保留所有权利。
The narrow bandgap Tin Selenide (SnSe) is a promising material for optoelectronic, photovoltaic and thermoelectric applications. A new phase cubic pi-SnSe is investigated under pressure for the first time. The studies were carried out by applying uniaxial hydrostatic pressure on pi-SnSe structure from 0 GPa to 40 GPa. The results indicate that the structural parameters such as lattice parameters and cell volume show inverse relation to the pressure and shows smooth decreasing behaviour from 0 to 40 GPa. The bandgap of pi-SnSe shows a significant variation at different external hydrostatic pressure (GPa). At 0 GPa its bandgap nature is direct and when pressure started to increase from 5 to 30 GPa it shows an indirect nature, and at further increase of pressure it started to exhibit the metallic behaviour (35-40 GPa). From the detailed analysis of the optical properties, it is concluded that external pressure might be the key reason to enhance the near/mid infrared light activity. The value of static dielectric constant and refractive index changes from 10.10 to 76.20 and 3.18 to 8.74 respectively as pressure increases from 0 to 40 GPa. Also, absorption energy increases as new peaks started to emerge with the increase in pressure. Moreover conduction shows substantial variation from 4.63 to 10.80 (1/fs) with pressure. The optical property enhancement is mostly due to the pressure modified electronic structures of pi-SnSe (cubic phase). The tuning/manipulation of the structural and optical properties of pi-SnSe suggest that this new cubic phase has a wide range of applications for pressure based optoelectronic systems. (C) 2016 Elsevier B.V. All rights reserved.