Structural, Magnetic, and Optoelectronic Properties of TbNi5, TbNi3Ti2 and TbNi3V2 Compounds

Original Paper
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Abstract

The spin-polarized, electronic, magnetic, and optical properties of TbNi5, TbNi3Ti2, and TbNi3V2 intermetallic compounds have been calculated by employing the full-potential linear augmented plane waves (FP-LAPW) within the density functional theory (DFT) and implemented in the WIEN2k package. In this approach, the generalized gradient approximation with Hubbard U-correction (GGA + U) was chosen as exchange-correlation potential. The electronic structure such as band structure and density of states have been investigated and compared among them. The frequency dependences of dielectric function, optical absorption, reflectivity, and optical conductivity are determined. The optical spectra are changed due to the substitution of nickel with titanium and vanadium. Total and local magnetic moments of Tb, Ni, Ti, and V are also estimated; it is shown that the total magnetic moment of the three alloys is vigorously contributed by the local magnetic moment of terbium.

Keywords

Intermetallic Electronic structure Optical properties Magnetic moment GGA + U 

Notes

Acknowledgments

The author Asif Mahmood extends his sincere appreciation to the Deanship of Scientific Research at King Saud University funding this Prolific Research Group (PRG-1436-26).

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© Springer Science+Business Media New York 2016

Authors and Affiliations

  1. 1.Laboratoire de Physique Quantique, de la Matière et de la Modélisation Mathématique (LPQ3M)Université de MascaraMascaraAlgeria
  2. 2.Department of PhysicsIslamia College PeshawarPeshawarPakistan
  3. 3.College of Engineering, Chemical Engineering DepartmentKing Saud UniversityRiyadhSaudi Arabia

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