Relativistic band structure and spin-orbit splitting of zinc-blende-type semiconductors

Cardona, M.; Christensen, N. E.; Fasol, Gerhard

doi:10.1103/physrevb.38.1806

Cited by 493 publications

(324 citation statements)

References 44 publications

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“…9 Earlier calculations by Christensen and coworkers 10 for the spin-splitting parameters at the ⌫ point using similar theoretical methods yielded results in reasonable agreement with experiments.…”

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confidence: 64%

Spin polarization via electron tunneling through an indirect-gap semiconductor barrier

2005

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We study the spin dependent tunneling of electrons through a zinc-blende semiconductor with the indirect X ͑or ⌬͒ minimum serving as the tunneling barrier. The basic difference between tunneling through the ⌫ vs the X barrier is the linear-k spin-orbit splitting of the two spin bands at the X point, as opposed to the k 3 Dresselhaus splitting at the ⌫ point. The linear coefficient of the spin splitting at the X point is computed for several semiconductors using density-functional theory and the transport characteristics are calculated using the barrier tunneling model. We show that both the transmission coefficient as well as the spin polarization can be large, suggesting the potential application of these materials as spin filters. DOI: 10.1103/PhysRevB.72.195347 PACS number͑s͒: 72.25.Ϫb, 71.20.Nr, 73.63.Ϫb An important problem in spintronics is the development of spin polarized current sources. One of the candidates for this is the asymmetric nonmagnetic heterostructure based on the interface-induced Rashba spin-orbit coupling: 1 H SO = ␣͑ ជ ϫ k ជ ͒ · n , which results in a spin-dependent potential for the scattering of the electrons ͑here, is the Pauli spin operator, k ជ is the electron momentum, n is normal to the interface, and ␣ is the coupling strength͒. The spin-dependent potential in turn leads to a net spin polarization for the outgoing electrons tunneled through the asymmetric heterostructure.Recently, Perel' and coworkers 2 have shown that the tunneling process is itself spin dependent and, even for a symmetric heterostructure, a nonzero spin polarization can occur. In their work, tunneling through a potential barrier originating from the ⌫ conduction minimum was considered and a large spin polarization was found for the incident electron energy below the ⌫ minimum. We extend the analysis to tunneling through a barrier formed by the indirect X or the ⌬ minimum. We find that both the transmission coefficient as well as the spin polarization can be large, suggesting the potential use of these materials as spin filters. The basic difference in the physics originates from the spin-orbit coupling term, viz., the k 3 Dresselhaus coupling 3 at the ⌫ point versus the linear-k coupling at the X point.We consider tunneling through a barrier ͑Fig. 1͒, where the barrier material has the zinc-blende structure with no inversion symmetry ͑e.g., AlAs͒. The basic origin of the spin polarization via tunneling lies in the spin-dependent band structure of the barrier material. If the conduction bands are spin split, then an incident electron with energy in the gap will see a spin-dependent barrier, resulting in a spindependent tunneling probability.Consider the spin splitting of the electronic band structure. Quite generally, the time-reversal symmetry demands that the energy eigenvalues of an electron in a crystal must satisfy the conditionwhere k ជ is the Bloch momentum and ↑, ↓ denote the two spin states. If, in addition, the crystal has the inversion symmetry, then the eigenvalues remain unchanged if the Bloch m...

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confidence: 64%

Spin polarization via electron tunneling through an indirect-gap semiconductor barrier

2005

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“…5,53,54 The existence of these terms follows from the lack of inversion symmetry through the coupling of the Γ 8 valence band states with the Zn-3d…”

Section: Electronic Band Structurementioning

confidence: 99%

Electronic, vibrational, and thermodynamic properties of ZnS with zinc-blende and rocksalt structure

Cardona

Kremer²,

Lauck³

et al. 2010

Phys. Rev. B

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We have measured the specific heat of zincblende ZnS for several isotopic compositions and over a broad temperature range (3 to 1100 K). We have compared these results with calculations based on ab initio electronic band structures, performed using both LDA and GGA exchangecorrelation functionals. We have compared the lattice dynamics obtained in this manner with experimental data and have calculated the one-phonon and two-phonon densities of states. We have also calculated mode Grüneisen parameters at a number of high symmetry points of the Brillouin zone. The electronic part of our calculations has been used to investigate the effect of the 3d core electrons of zinc on the spin-orbit splitting of the top valence bands. The effect of these core electrons on the band structure of the rock salt modification of ZnS is also discussed.

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“…This was demonstrated for diamond-like group IV, z-type group III-V, II-VI, and I-VII semiconductors, 28 w-type AlN, GaN, and InN 29 using the LAPW and VASP-PAW, the wtype CdS and CdSe, 27 z-type ZnSe, CdTe, HgTe, 30 using the ab initio LMTO-ASA, z-and w-type ZnSe and ZnTe 21,22 as well as z-type CdTe 31 using the VASP-PAW and FP LMTO methods. Although the SO splitting at the top of VB is known to play an important role in electronic structure, and chemical bonding of semiconductors 21,22,26,28,29,30,32,33 there is no systematic study of the role of the SO coupling in optical properties of these materials.…”

Section: Introductionmentioning

confidence: 99%

Electronic structure and optical properties ofZnX(X=O,S, Se, Te): A density functional study

et al. 2007

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Electronic band structure and optical properties of zinc monochalcogenides with zinc-blende-and wurtzite-type structures were studied using the ab initio density functional method within the LDA, GGA, and LDA+U approaches. Calculations of the optical spectra have been performed for the energy range 0-20 eV, with and without including spin-orbit coupling. Reflectivity, absorption and extinction coefficients, and refractive index have been computed from the imaginary part of the dielectric function using the Kramers-Kronig transformations. A rigid shift of the calculated optical spectra is found to provide a good first approximation to reproduce experimental observations for almost all the zinc monochalcogenide phases considered. By inspection of the calculated and experimentally determined band-gap values for the zinc monochalcogenide series, the band gap of ZnO with zinc-blende structure has been estimated.

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Relativistic band structure and spin-orbit splitting of zinc-blende-type semiconductors

Cited by 493 publications

References 44 publications

Spin polarization via electron tunneling through an indirect-gap semiconductor barrier

Spin polarization via electron tunneling through an indirect-gap semiconductor barrier

Electronic, vibrational, and thermodynamic properties of ZnS with zinc-blende and rocksalt structure

Electronic structure and optical properties ofZnX(X=O,S, Se, Te): A density functional study

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