折射率
兴奋剂
材料科学
镓
带隙
吸收(声学)
紫外线
不透明度
硼
电介质
光学
铟
光电子学
分析化学(期刊)
物理
化学
冶金
复合材料
有机化学
色谱法
作者
Mayank Srivastava,Bramha P. Pandey,Neha Mishra,Dharmendra Kumar,V. K. Tomar,Santosh Kumar
出处
期刊:Nanomaterials and Energy
[Thomas Telford Ltd.]
日期:2022-07-01
卷期号:11 (3-4): 85-91
标识
DOI:10.1680/jnaen.22.00028
摘要
This paper explores the electronic (optical) properties of pristine and p-type doped (boron (B), aluminum (Al), gallium (Ga)) tungsten (W), sulfur (S) and selenium (Se) (WSSe) monolayers (MLs) through first-principles calculation. The electronic properties total density of states and band gap are investigated; the results confirm that magnetic attributes are induced after doping of p-type (boron, aluminum, gallium) materials in the system. Further, the optical properties of the studied system – namely, the dielectric function (real (ε 1 ) and imaginary (ε 2 )), absorption index (α) and refractive index (η) – are extracted systematically. The real part ε 1 has negative values, which indicates that the material is opaque to light through that region. The imaginary part ε 2 shows that the boron-doped WSSe ML has the highest light-absorbing capacity. Moreover, the absorption index shows that the peaks align in the ultraviolet (UV) range for both pristine and p-type doped systems. The refractive index (η) is investigated, and the peaks are located in the UV region. Again, the boron-doped system has the maximum value, which agrees with the reported results. Thus, it is concluded from the study of the optical properties of p-type doped systems that the boron-doped system is more suitable for designing optoelectronic devices.
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