Structural, Electronic, and Optical Properties of Stanene and Stanene-Doped Non-metals for Optoelectronics Applications: A first-principle Study

In this paper, the structural, electronic, and optical properties of sulfur and phosphorus-doped stanene were investigated using the density functional theory (DFT) projected augmented wave (PAW) method. Native stanene has a zero-band gap but when doped with sulfur and phosphorus atoms, it results in a direct band gap opening. Specifically, the bands of stanene doped with 25.0% sulfur and 25.0% phosphorus are 0.77 eV and 0.47 eV compared to other doping concentrations. Optical analysis shows anisotropic behavior in stanene-doped phosphorus and sulfur with higher refractive indices than native stanene. This suggests that SnP12.5%, SnP25.0%, SnS12.5% and SnS25.0% are promising for optoelectronic applications.

• Publication year

  2024

• Venue

  Physics Access

• Publication date

  2024-04-01

• Fields of study

  Not labeled

• Identifiers
  DOI 10.47514/phyaccess.2024.4.1.002
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

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• No concepts are published for this paper.

• No references are available for this paper.

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