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A Novel Theoretical Investigation of Electronic Structure and Half-Metallic Ferromagnetism in 3d (V)-Doped InP for Spintronic Applications

  • Yacine Cherfi
  • Allel Mokaddem
  • Djillali Bensaid
  • Bendouma Doumi
  • Adlane Sayede
  • Fethallah Dahmane
  • Abdelkader Tadjer
Original Paper

Abstract

We have investigated the electronic structure and half-metallic ferromagnetic properties of vanadium (V)-doped InP indium phosphide in the zinc blende structure as ternary In 1−x V x P compounds at concentrations x = 0.25, 0.5, and 0.75 of V, using first-principles calculations of density functional theory with generalized gradient approximation functional of Wu and Cohen (GGA-WC). It is found that In 0.75 V 0.25P, In 0.5 V 0.5P, and In 0.25 V 0.75P compounds depicted a half-metallic (HM) ferromagnetic character with spin polarization of 100 % at Fermi level. The HM ferromagnetic behavior is confirmed by the integral Bohr magneton of total magnetic moment of 2 μ B per V atom of In 1−x V x P, which mainly arises from the 3d (V) states along with less important contributions of induced local magnetic moments at In and P sites. Therefore, the In 1−x V x P material seems to be potential candidate for possible semiconductor spintronics applications.

Keywords

First-principles calculations V-doped InP Electronic structure Half-metallic ferromagnets Spintronics 

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Copyright information

© Springer Science+Business Media New York 2016

Authors and Affiliations

  1. 1.Faculty of Physics, Theoretical Physics LaboratoryU.S.T.H.B.AlgiersAlgeria
  2. 2.Faculty of Physics, Department of Materials and ComponentsU.S.T.H.B.AlgiersAlgeria
  3. 3.Laboratory Physico-Chemistry of Advanced MaterialsDjillali Liabes University of Sidi Bel-AbbesSidi Bel-AbbesAlgeria
  4. 4.Faculty of Sciences, Department of PhysicsDr. Tahar Moulay University of SaïdaSaïdaAlgeria
  5. 5.Unité de Catalyse et Chimie du Solide (UCCS), UMR CNRS 8181, Faculté des SciencesUniversité d’ArtoisLensFrance
  6. 6.Institut des Sciences et Technologies, Département Sciences de la MatièreCentre Universitaire TissemsiltTissemsiltAlgérie
  7. 7.Modelling and Simulation in Materials Science Laboratory, Physics DepartmentDjillali Liabes University of Sidi Bel-AbbesSidi Bel-AbbesAlgeria

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