DFT study of CdSe nanotube doped with Cr atom

Yıl 2025, Cilt: 9 Sayı: 2, 1 - 7

Narmin Ismayilova

Öz

Electronic and optical properties of doped with Cr atom CdSe nanotube investigated from first principles calculations. It was found that, doped with Cr atoms CdSe nanotube show half metallic properties. The imaginary and real part of dielectric function were calculated for pure and Cr doped nanotube and compared. Our calculations show that Cr atom induce blue shift for spin down states and red shift for spin up states. The half metallic behavior makes Cr doped CdSe nanotube suitable to be used in spintronic devices.

Anahtar Kelimeler

DFT, nanotube, density of state, electronic structure, optical properties

Kaynakça

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