Biaxial Strain-Induced Electronic Structure and Optical Properties of SiP2S Monolayer

Tayran C., Caglayan R., MOĞULKOÇ Y., ÇAKMAK M., Alkan B.

JOURNAL OF ELECTRONIC MATERIALS, cilt.50, sa.11, ss.6253-6260, 2021 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 50 Sayı: 11
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1007/s11664-021-09137-7
  • Dergi Adı: JOURNAL OF ELECTRONIC MATERIALS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, PASCAL, Applied Science & Technology Source, Chemical Abstracts Core, Chimica, Compendex, Computer & Applied Sciences, INSPEC
  • Sayfa Sayıları: ss.6253-6260
  • Anahtar Kelimeler: Biaxial strain, electronic structure, optical properties, two-dimensional material, SiP2S monolayer, INITIO MOLECULAR-DYNAMICS, TOTAL-ENERGY CALCULATIONS, THERMAL-CONDUCTIVITY, GRAPHENE, SEMICONDUCTOR, TRANSITION, MOBILITY, GAS
  • Ankara Üniversitesi Adresli: Evet

Özet

The electronic and optical properties of a two-dimensional (2D) pristine SiP2S monolayer under biaxial strain effect are investigated by means of density functional theory. Firstly, we have highlighted the band gap under biaxial strain. The SiP2S monolayer is an indirect semiconductor material. Its obtained electronic band structures demonstrate that its band gap can be modulated by the strain. It has been observed that, when the tensile (compressive) strain increases, the band gap of the SiP2S monolayer decreases (increases). Secondly, its optical properties were examined under the strain effect, from which it was explicitly shown that different absorption spectra are obtained at different strain values. Thus, the proposed material is extremely suitable for use in adjustable detectors for optoelectronic applications.