The s,p—d exchange interaction of Cd0.997Cr0.003S

Herbich, M.; Mac, W.; Twardowski, A.; Ando, Koji; Scalbert, D.; Petrou, A.; Demianiuk, M.

doi:10.1016/s0022-0248(98)80209-1

Cited by 2 publications

(2 citation statements)

References 16 publications

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“…They have observed that the p-d hybridization of Fe d and S p states reduces the magnetic moment of Fe from its free space charge value and produces the local magnetic moment on the nonmagnetic Cd and S sites. On the other hand, the ferromagnetic behaviors have been confirmed experimentally for several Cr-(DMSs) materials, such as ZnCrSe alloy [10], ZnCrS material [11], ZnCrTe semiconductor [12], and Cd-CrS ternary alloy [13].…”

Section: Introductionmentioning

confidence: 92%

Structural, Thermodynamic and Magneto-Electronic Properties of Cd_0.75Cr_0.25Se and Zn_0.75Cr_0.25S: An <i>Ab-Initio</i> Study

2023

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Using the full-potential linearized augmented plane wave plus local orbital method based on spinpolarized density functional theory, we investigate the parameters of the structure, the electronic, magnetic, and thermodynamic properties of cubic zinc-blende Cd0.75Cr0.25Se and Zn0.75Cr0.25S ordered ferromagnetic materials. We adopt the Perdew-Burke-Ernzerhof generalized gradient approximation and the modified Becke-Johnson exchange potential for the exchange-correlation energy and potential. Furthermore, the effect of high pressure on the normalized unit cell volume, bulk modulus, and Grüneisen parameter for both CdSe and ZnS binary compounds as well as for Cd0.75Cr0.25Se and Zn0.75Cr0.25S partially substituted materials was also predicted. The results indicate that both these materials are stabilized in the ferromagnetic phase. Using the modified Becke-Johnson approach and Perdew-Burke-Ernzerhof generalized gradient approximation, our calculations also demonstrate that both Cd0.75Cr0.25Se and Zn0.75Cr0.25S alloys are semiconductors with the magnetic moment of 4 µB per formula unit. Furthermore, the calculations of the s-d exchange constant and p-d exchange constant clearly indicate the magnetic nature of these compounds. Finally, in order to gain further information, basic thermodynamic properties such as heat capacity, thermal expansion coefficient, and entropy have been explored using the quasi-harmonic Debye model.

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Section: Introductionmentioning

confidence: 92%

Structural, Thermodynamic and Magneto-Electronic Properties of Cd_0.75Cr_0.25Se and Zn_0.75Cr_0.25S: An <i>Ab-Initio</i> Study

2023

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“…Just after the first reports suggesting possible ferromagnetic properties of II-VI-type DMSs containing Cr, an experimental evidence of this behaviour was demonstrated for several highly Cr-doped bulk crystals, like ZnSe:Cr [8][9][10], ZnS:Cr [9,10], ZnTe:Cr [10,11] and CdS:Cr [12,13]. Meanwhile, a progress in the technology also made it possible to grow selected crystals containing up to a few percent of Cr.…”

Section: Introductionmentioning

confidence: 96%

Structure characterization of MBE-grown (Zn,Cr)Se layers

Jouanne¹,

Morhange²,

Dynowska³

et al. 2004

Journal of Alloys and Compounds

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The s,p—d exchange interaction of Cd0.997Cr0.003S

Cited by 2 publications

References 16 publications

Structural, Thermodynamic and Magneto-Electronic Properties of Cd_0.75Cr_0.25Se and Zn_0.75Cr_0.25S: An <i>Ab-Initio</i> Study

Structural, Thermodynamic and Magneto-Electronic Properties of Cd_0.75Cr_0.25Se and Zn_0.75Cr_0.25S: An <i>Ab-Initio</i> Study

Structure characterization of MBE-grown (Zn,Cr)Se layers

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The s,p—d exchange interaction of Cd0.997Cr0.003S

Cited by 2 publications

References 16 publications

Structural, Thermodynamic and Magneto-Electronic Properties of Cd0.75Cr0.25Se and Zn0.75Cr0.25S: An <i>Ab-Initio</i> Study

Structural, Thermodynamic and Magneto-Electronic Properties of Cd0.75Cr0.25Se and Zn0.75Cr0.25S: An <i>Ab-Initio</i> Study

Structure characterization of MBE-grown (Zn,Cr)Se layers

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Structural, Thermodynamic and Magneto-Electronic Properties of Cd_0.75Cr_0.25Se and Zn_0.75Cr_0.25S: An <i>Ab-Initio</i> Study

Structural, Thermodynamic and Magneto-Electronic Properties of Cd_0.75Cr_0.25Se and Zn_0.75Cr_0.25S: An <i>Ab-Initio</i> Study