Electronic and optical properties of black phosphorus doped with Au, Sn and I atoms

Creative Commons License

Kutlu E., NARİN P., LİŞESİVDİN S. B., Ozbay E.

PHILOSOPHICAL MAGAZINE, cilt.98, sa.2, ss.155-164, 2018 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 98 Sayı: 2
  • Basım Tarihi: 2018
  • Doi Numarası: 10.1080/14786435.2017.1396375
  • Dergi Adı: PHILOSOPHICAL MAGAZINE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.155-164
  • Anahtar Kelimeler: Black phosphorus, density-functional theory, electronic properties, optical properties, GROWTH, CRYSTALS, ACCESS
  • Gazi Üniversitesi Adresli: Evet

Özet

In this study, the electronic and the optical properties of monolayer black phosphorus (BP) doped with Gold (Au), Tin (Sn) and Iodine (I) atoms have been investigated by the density-functional theory (DFT) method. In the calculations, the electronic and the optical properties of monolayer BP have been substantially changed with doping. Monolayer BP has a narrow bandgap as 0.85 eV, BP doped with these atoms, results in a metallic behaviour and nearly spin gapless band gap behaviour. The dielectric constant of BP which shows anisotropic optical properties due to different edge states as zigzag and armchair has been changed with doping especially with Au.