Phonon dispersion and phonon densities of states for ZnS and ZnTe

Vagelatos, N.; Wehe, D.K.; King, John S.

doi:10.1063/1.1681581

Cited by 247 publications

(112 citation statements)

References 17 publications

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“…This was performed for the 2 x 2 x 2 supercell used for the subsequent defect calculations and thus the resulting spectrum is the sum of the modes from 8 special points within the Brillouin zone of the conventional cell. The optic modes are found to span the range 245 -317 cm -1 , as compared to 277 -350 cm -1 experimentally (Vagelatos et al 1974). Both the observed systematic underestimation of the optic and acoustic modes is consistent with the overestimation of the unit cell volume by 3%.…”

Section: Pure Phasessupporting

confidence: 71%

A first principles study of the distribution of iron in sphalerite

Wright

Gale

2010

Geochimica et Cosmochimica Acta

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Abstract.Quantum mechanical techniques, based on density functional theory, have been used to study the distribution of iron impurities in sphalerite (ZnS) at compositions ranging from 3.125 to 12.5 mol% FeS. Our results show that iron is most easily incorporated by direct substitution onto the zinc site and that energies for solution reactions involving FeS are exothermic when the system is zinc deficient. Furthermore, there appears to be a small driving force for the formation of bound Fe-Fe pairs at low iron concentrations, though there is no particular preference found for larger clusters of iron. The influence of iron on the sphalerite cell parameter is shown to be sensitive to the presence of Fe-Fe pairs and to the degree of sample non-stoichiometry.3

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Section: Pure Phasessupporting

confidence: 71%

A first principles study of the distribution of iron in sphalerite

Wright

Gale

2010

Geochimica et Cosmochimica Acta

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“…We have also plotted in this figure the phonon frequencies measured at room temperature by Vagelatos et al with INS. 56 Because of the anharmonic temperature shift the measured frequencies are expected to be somewhat lower than calculated ones, a fact which seems to be supported by Fig. 3.…”

Section: Electronic Band Structuresupporting

confidence: 59%

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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“…The single pump excitation measurements show that we excited exclusively two-acoustic phonon bound states in ZnTe(110), see Fig.1, which have a slightly higher frequency than the corresponding overtone 2TA(X) [6]. The amplitude of coherent oscillation is linearly dependent on the pump power and independent on the pump polarization, indicating the excitation mechanism of impulsive stimulated second-order Raman scattering and the entity of a full symmetry, respectively.…”

Section: Resultsmentioning

confidence: 90%

Manipulation of Squeezed Two-Phonon Bound States using Femtosecond Laser Pulses

Misochko

Nakamura

2013

EPJ Web of Conferences

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Abstract.Two-phonon bound states have been excited exclusively in ZnTe(110) via impulsive stimulated second-order Raman scattering, essentially being squeezed states due to phase coherent excitation of two identical components anticorrelated in the wave vector. By using coherent control technique with a pair of femtosecond laser pulses, the manipulation of squeezed states has been demonstrated in which both the amplitude and lifetime of coherent oscillations of squeezed states are modulated, indicating the feasibility to control the quantum noise and the quantum nature of phonon squeezed states, respectively.

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Phonon dispersion and phonon densities of states for ZnS and ZnTe

Cited by 247 publications

References 17 publications

A first principles study of the distribution of iron in sphalerite

A first principles study of the distribution of iron in sphalerite

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

Manipulation of Squeezed Two-Phonon Bound States using Femtosecond Laser Pulses

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