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Electronic and magnetic properties of Mn-doped CdSe nanoribbon: first-principles calculations

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Abstract

Using density functional theory calculation, we have investigated structural, electronic and magnetic properties of doped with Mn armchair and zigzag CdSe nanoribbons with various widths. Our study reflects that all the pure armchair and zigzag nanoribbons show semiconducting properties and their band gap decreases monotonically with increasing ribbon widths. Furthermore, the band gap of doped with Mn atoms nanoribbon is closely related to Mn atoms concentrations and their position. To find the stable magnetic states, Mn-doped nanoribbons were optimized in ferromagnetic and antiferromagnetic states. Our calculations show that the ground state is ferromagnetic for the middle doping armchair. The local magnetic moment of the Mn atom is 4.7μB for w = 8 and decreases depending on the Mn concentration. Calculation results reveal that Mn-doped armchair nanoribbon may be good candidates for spintronics due to their good half-metallic ferromagnetism.

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Authors and Affiliations

  1. Institute of Physics Ministry of Science and Education Republic of Azerbaijan, AZ-1143, Baku, Azerbaijan

    N. A. Ismayilova

  2. CMD-AC UNEC Research Center, Azerbaijan State University of Economics (UNEC), Istiqlaliyyat Str. 6, AZ-1001, Baku, Azerbaijan

    N. A. Ismayilova

  3. Western Caspian University, AZ-1001, Baku, Azerbaijan

    N. A. Ismayilova

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Ismayilova, N.A. Electronic and magnetic properties of Mn-doped CdSe nanoribbon: first-principles calculations. Eur. Phys. J. Plus 139, 321 (2024). https://doi.org/10.1140/epjp/s13360-024-05122-1

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