A Novel Theoretical Investigation of Electronic Structure and Half-Metallic Ferromagnetism in 3d (V)-Doped InP for Spintronic Applications |
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| Authors: | Yacine Cherfi Allel Mokaddem Djillali Bensaid Bendouma Doumi Adlane Sayede Fethallah Dahmane Abdelkader Tadjer |
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| Affiliation: | 1.Faculty of Physics, Theoretical Physics Laboratory,U.S.T.H.B.,Algiers,Algeria;2.Faculty of Physics, Department of Materials and Components,U.S.T.H.B.,Algiers,Algeria;3.Laboratory Physico-Chemistry of Advanced Materials,Djillali Liabes University of Sidi Bel-Abbes,Sidi Bel-Abbes,Algeria;4.Faculty of Sciences, Department of Physics,Dr. Tahar Moulay University of Sa?da,Sa?da,Algeria;5.Unité de Catalyse et Chimie du Solide (UCCS), UMR CNRS 8181, Faculté des Sciences,Université d’Artois,Lens,France;6.Institut des Sciences et Technologies, Département Sciences de la Matière,Centre Universitaire Tissemsilt,Tissemsilt,Algérie;7.Modelling and Simulation in Materials Science Laboratory, Physics Department,Djillali Liabes University of Sidi Bel-Abbes,Sidi Bel-Abbes,Algeria |
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| 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. |
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