Novel Insights into Strain-Driven Modifications in Electronic, Optical, and Charge Distribution Properties of Janus γ-Si2XY (X/Y = S, Se, Te) Monolayers

MOĞULKOÇ Y., Zengin Y., Enekci G.

Advanced Theory and Simulations, cilt.8, sa.10, 2025 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 8 Sayı: 10
  • Basım Tarihi: 2025
  • Doi Numarası: 10.1002/adts.202500433
  • Dergi Adı: Advanced Theory and Simulations
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Compendex, INSPEC
  • Anahtar Kelimeler: 2D materials, DFT calculations, electronic proporties, Janus materials, optical proporties
  • Ankara Üniversitesi Adresli: Evet

Özet

The exploration of 2D materials has progressed rapidly, resulting in notable advancements across a range of technological domains, including nanoelectronics, photonics, and thermoelectric devices. These materials are distinguished by their exceptional structural and electronic properties, which confer numerous advantages over their 3D counterparts. While initial research is primarily focused on graphene, the discovery of new polymorphic structures has significantly expanded the scope of 2D materials, introducing novel compounds such as transition metal dichalcogenides (TMDs), boron nitride, and phosphorene. This study focuses on the analysis of the structural, electronic, and optical properties of the monolayers of γ-Si2XY (X/Y = S, Se, Te), with an emphasis on understanding their behavior under strain and the novel physical phenomena induced by asymmetric Janus structures. The findings contribute to a broader understanding and optimization of 2D materials, enhancing their potential for future technological applications.