Ab initio calculation of elastic constants and electronic properties of ZnSe and ZnTe under uniaxial strain

Sörgel, J.; Scherz, Udo

doi:10.1007/s100510050417

Cited by 36 publications

(17 citation statements)

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“…2. 30 For the ZnSe buffer layer in the structure investigated here, 58,59 we calculate an oscillation period associated with such a phonon wavepacket to be 30 ps, in reasonable agreement with the measured value. 2͑a͒.…”

Section: A Carrier Dynamicssupporting

confidence: 81%

Ultrafast studies of carrier and magnetization dynamics in GaMnAs

Zahn

Gamouras

March

et al. 2010

Journal of Applied Physics

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Structure, magnetization, and low-temperature spin dynamic behavior of zincblende Mn-rich Mn(Ga)As nanoclusters embedded in GaAsWe have investigated the carrier and magnetization dynamics in a GaMnAs structure with perpendicular uniaxial anisotropy using time-resolved pump probe techniques. Experiments were performed over two orders of magnitude variation in pump fluence, revealing an ultrafast demagnetization response that saturates at fluence values larger than 1 mJ/ cm 2 . Dichroic bleaching contributions exhibit no dependence on the circular polarization state of the pump beam, indicating no signature of electron spin dynamics, in contrast to experiments at similar pump pulse fluence in other III-Mn-V semiconductors. We observe no evidence of a transient hole spin depolarization despite the strong demagnetization effects in our experiments, suggesting that more studies are needed to elucidate the influence of hot holes on the nonlinear optical response of diluted magnetic semiconductors. Differential reflectivity experiments indicate an electron trapping time of 1 ps, followed by carrier recombination on a time scale of several nanoseconds. The demagnetization observed is incomplete, reaching only 80% of the equilibrium magnetization at saturation. We attribute this to the optical saturation of the band edge absorption in GaMnAs.

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Section: A Carrier Dynamicssupporting

confidence: 81%

Ultrafast studies of carrier and magnetization dynamics in GaMnAs

Zahn

Gamouras

March

et al. 2010

Journal of Applied Physics

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“…For cubic ZnSe, model II yields C 11 = 92.63 GPa, C 12 = 63.48 GPa and C 44 = 59.24 GPa and are consistent with reported data of Sörgel and Scherz. 12 We note that C 44 decrease linearly with the increase of pressure away from zero at the phase-transition pressures. On the contrary, the value of C 11 and C 12 increases linearly with pressure.…”

Section: Resultsmentioning

confidence: 67%

PRESSURE INDUCED PHASE TRANSITION (B3–B1) AND ELASTIC PROPERTIES OF II–VI ZnSe SEMICONDUCTORS

Varshney

2012

Int. J. Mod. Phys. B

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We evolve an effective interionic interaction potential (EIoIP) to investigate the pressure induced phase transitions from Zinc blende (B3) to Rocksalt (B1) structure in ZnSe semiconductor. The developed potential consists of the long-range Coulomb and three-body interactions (TBI) and the Hafemeister and Flygare type short-range (SR) overlap repulsion extended upto the second neighbor ions and the van der Waals (vdW) interaction. The three-body interactions arise from the electron-shell deformation when the nearest-neighbor ions overlap and has been employed for detailed studies of pressureinduced phase-transition behavior of ZnSe semiconductors. Our calculated value of the phase transition pressure (Pt) is higher and the magnitude of the discontinuity in volume at the transition pressure is consistent with reported data. The variation of second-order elastic constants with pressure resembles that observed in some binary semiconductors. It is inferred that the vdW interaction is effective in obtaining the Debye temperature, Gruneisen parameter, thermal expansion coefficient and compressibility. It is argued that the model with TBI (model II) has yielded somewhat more realistic predictions of the phase-transition and high-pressure behavior as compared to usual two-body potentials (model I) based on phenomenological approach.

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“…Thus, our VTRSM has better agreement with the experimental data than RIM [26]. Our calculations on TOEC are reported in Table 4 and compared with measured data of Prasad [28] on TOEC of ZnTe and the theoretical results of Sorgel and Scherz [29]. Further, pressure derivatives of SOEC for ZnTe were also compared with the calculated results of Dinesh et al [30] and Khenata et al [31], and measured data of Lee [2] as shown in Table 5.…”

Section: Phonon Dispersion Curvesmentioning

confidence: 79%

Crystal dynamics of zinc chalcogenides III: an application to ZnTe

Dubey¹,

Tiwari²,

Upadhyaya³

et al. 2016

Turk J Phys

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Abstract:We report the results of a theoretical study on phonon dispersion curves (PDCs) along the three principal symmetry directions, Debye temperature variation, combined density of states (CDS) curves, two-phonon Raman/IR peaks, and anharmonic elastic properties (third order elastic constants and their pressure derivatives) of ZnTe. This new van der Waals three-body force rigid shell model (VTRSM) incorporates the effect of van der Waals interactions and three-body interactions into the rigid shell model of zinc blende structure, where the short range interactions are operative up to the second neighbors. Our results are in good agreement with the available measured data for zinc telluride. It is concluded that this VTRSM will be equally applicable to study the above properties of other zinc blende structure solids.

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Ab initio calculation of elastic constants and electronic properties of ZnSe and ZnTe under uniaxial strain

Cited by 36 publications

References 0 publications

Ultrafast studies of carrier and magnetization dynamics in GaMnAs

Ultrafast studies of carrier and magnetization dynamics in GaMnAs

PRESSURE INDUCED PHASE TRANSITION (B3–B1) AND ELASTIC PROPERTIES OF II–VI ZnSe SEMICONDUCTORS

Crystal dynamics of zinc chalcogenides III: an application to ZnTe

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