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journal article·2023-10-30Open access

Insight into electronic, magnetic and optical properties of KMnxNb1-xO3 compound

Department of Physics, College of Sciences, Princess Nourah bint Abdulrahman University, P. O. Box 84428, Riyadh 11671, Saudi Arabia, S. A. Aldaghfag, M. Ishfaq, Spin-Optoelectronics and Ferro-Thermoelectric (SOFT) Materials and Devices Laboratory, Department of Physics, University of Agriculture, Faisalabad 38040, Pakistan, S. Saleem, Spin-Optoelectronics and Ferro-Thermoelectric (SOFT) Materials and Devices Laboratory, Department of Physics, University of Agriculture, Faisalabad 38040, Pakistan, M. Yaseen, Spin-Optoelectronics and Ferro-Thermoelectric (SOFT) Materials and Devices Laboratory, Department of Physics, University of Agriculture, Faisalabad 38040, Pakistan, M. Zahid, Department of Chemistry, University of Agriculture, Faisalabad 38040, Pakistan, M. Shaheen, Spin-Optoelectronics and Ferro-Thermoelectric (SOFT) Materials and Devices Laboratory, Department of Physics, University of Agriculture, Faisalabad 38040, Pakistan

Digest Journal of Nanomaterials and Biostructures· Volume 18· Issue 4
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Abstract

Density functional theory (DFT) based calculations are performed to study the physical features of Mn doped KNbO3. The spin resolved electronic band structure (BS) and density of states (DOS) are investigated that confirmed the half-metallic ferromagnetic (HMFM) character at x=12.5 and 25% Mn concentration. The energy gap of pure KNbO3 is found to majority influenced by Mn-3d states which introduces new states in the vicinity of Fermi level. The optical features (dielectric function, absorption coefficient, extinction coefficient, refractive index and optical conductivity) are examined to further reveal the role of Mn doping on the KNbO3 compound for optical devices. Finally in magnetic properties, the total magnetic moment of 2.98 and 3.68 μB which is mainly originated from Mn-3d along with weak contribution from K, Nb, and O. Results revealed that KMnxNb1-xO3 compound is a favorable candidate for optoelectronics and spintronics gadgets applications.
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Electronic materials

OpenAlex topics: Magnetic and transport properties of perovskites and related materials · Multiferroics and related materials · Electronic and Structural Properties of Oxides

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