Generalized gradient calculations of magneto-electronic properties for diluted magnetic semiconductors ZnMnS and ZnMnSe

Méçabih, S.; Benguerine, K.; Benosman, N.; Abbar, B.; Bouhafs, B.

doi:10.1016/j.physb.2008.05.013

Cited by 26 publications

(7 citation statements)

References 27 publications

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“…The theory is widely used by the materials scientists [2][3][4][5][6][7][8][9] to study various physical properties such as relative stability, chemical bonding, relaxation of the atoms, phase transitions, electrical, mechanical, optical and magnetic properties of solid materials [10].…”

Section: Introductionmentioning

confidence: 99%

Generalized gradient calculations of structural, electronic and optical properties of MgxCd1−xO oxides

Amin

Ahmad

Maqbool

et al. 2010

Journal of Alloys and Compounds

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Section: Introductionmentioning

confidence: 99%

Generalized gradient calculations of structural, electronic and optical properties of MgxCd1−xO oxides

Amin

Ahmad

Maqbool

et al. 2010

Journal of Alloys and Compounds

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“…The ferromagnetic ordering was observed in p -ZnMnTe at 1.5 K for p = 1.2 × 10 20 cm −3 . In current years resonant-photoemission measurements on Cd 1− x Mn x S and Cd 1− x Mn x Te have resolved some controversies about the experimentally assumed partial Mn 3d density of states (DOS). , The variation in the relative intensities of these Mn 3d features by changing the anion in a compound series, like Cd 1− x Mn x Y or Zn 1− x Mn x Y (Y = S, Se, Te), is promising to clarify the amount of p−d hybridization in these alloys . Such a systematic study was reported for Cd 1− x MnY by M. Taniguchi et al and for Zn 1− x MnY by R. Weidemann et al…”

Section: Introductionmentioning

confidence: 99%

Spin-Polarized Structural, Electronic, and Magnetic Properties of Diluted Magnetic Semiconductors Cd_1−xMn_xS and Cd_1−xMn_xSe in Zinc Blende Phase

Nazir¹,

Ikram²,

Tanveer³

et al. 2009

J. Phys. Chem. A

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We studied the structural, spin-polarized electronic band structures, density of states, and magnetic properties of the diluted magnetic semiconductors (DMSs) Cd(1-x)Mn(x)S and Cd(1-x)Mn(x)Se in zinc blende phase (B3) with 25% Mn by using the ab initio method. The calculations were performed by using the full potential linearized augmented plane wave plus local orbitals (FP-L/APW+lo) method within the spin-polarized density functional theory and the local spin density approximation (LSDA). Calculated electronic band structures and the density of states of these DMSs are discussed in terms of the contribution of Mn 3d(5)4s(2), Cd 4d(10)5s(2), S 3s(2)3p(4), and Se 4s(2)4p(4) partial density of states and we also compute the local magnetic moments. We estimated the spin-exchange splitting energies, Delta(x)(d) and Delta(x)(p-d), produced by the Mn 3d states, and we found that the effective potential for the minority spin is more attractive than that for the majority spin. We determine the s-d exchange constant N(0)alpha and p-d exchange constant N(0)beta, which resembles a typical magneto-optical experiment. The calculated total magnetic moment is found to be 5.0020 and 5.00013 mu(B) for Cd(1-x)Mn(x)S and Cd(1-x)Mn(x)Se, respectively. These values indicate that every Mn impurity adds no hole carriers to the perfect CdS and CdSe crystals. Moreover, we found that p-d hybridization reduces the local magnetic moment of Mn from its free space charge value of 5.0micro(B) and produces small local magnetic moments on the nonmagnetic Cd and S sites.

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“…Within each atomic sphere the wave function is expanded in spherical harmonics while in the interstitial region it is expanded in a plane wave basis. In the same manner the potential is expanded as 29 : (3) where, Eq. 3(a) is for the inside of the sphere and Eq.…”

Section: Methods Of Calculationsmentioning

confidence: 99%

Cr-Doped III–V Nitrides: Potential Candidates for Spintronics

Amin

Arif

Ahmad

et al. 2011

Journal of Elec Materi

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Studies of Cr-doped III-V nitrides, dilute magnetic alloys in the zincblende crystal structure, are presented. The objective of the work is to investigate half-metallicity in Al 0.75 Cr 0.25 N, Ga 0.75 Cr 0.25 N, and In 0.75 Cr 0.25 N for their possible application in spin-based electronic devices. The calculated spinpolarized band structures, electronic properties, and magnetic properties of these compounds reveal that Al 0.75 Cr 0.25 N and Ga 0.75 Cr 0.25 N are half-metallic dilute magnetic semiconductors while In 0.75 Cr 0.25 N is metallic in nature. The present theoretical predictions provide evidence that some Cr-doped III-V nitrides can be used in spintronics devices.

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Generalized gradient calculations of magneto-electronic properties for diluted magnetic semiconductors ZnMnS and ZnMnSe

Cited by 26 publications

References 27 publications

Generalized gradient calculations of structural, electronic and optical properties of MgxCd1−xO oxides

Generalized gradient calculations of structural, electronic and optical properties of MgxCd1−xO oxides

Spin-Polarized Structural, Electronic, and Magnetic Properties of Diluted Magnetic Semiconductors Cd_1−xMn_xS and Cd_1−xMn_xSe in Zinc Blende Phase

Cr-Doped III–V Nitrides: Potential Candidates for Spintronics

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Generalized gradient calculations of magneto-electronic properties for diluted magnetic semiconductors ZnMnS and ZnMnSe

Cited by 26 publications

References 27 publications

Generalized gradient calculations of structural, electronic and optical properties of MgxCd1−xO oxides

Generalized gradient calculations of structural, electronic and optical properties of MgxCd1−xO oxides

Spin-Polarized Structural, Electronic, and Magnetic Properties of Diluted Magnetic Semiconductors Cd1−xMnxS and Cd1−xMnxSe in Zinc Blende Phase

Cr-Doped III–V Nitrides: Potential Candidates for Spintronics

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Spin-Polarized Structural, Electronic, and Magnetic Properties of Diluted Magnetic Semiconductors Cd_1−xMn_xS and Cd_1−xMn_xSe in Zinc Blende Phase