A Study of the Crystal Dynamics of Zinc

Borgonovi, G.M.; Caglioti, G.; Antal, J.

doi:10.1103/physrev.132.683

Cited by 71 publications

(5 citation statements)

References 12 publications

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“…The frequency of the E 2g phonon of Zn at ambient conditions in the present study is 71 cm Ϫ1 and compares favorably with the values obtained from previous ambient pressure Raman scattering [24][25][26][27][28] and inelastic neutron scattering. [29][30][31][32] The measured frequency-pressure data are well represented by the expression…”

Section: Resultsmentioning

confidence: 99%

Pressure shift of the zone-center TO mode of Zn

et al. 2000

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The pressure dependence of the transverse-optical zone-center phonon mode of Zn was measured by means of Raman spectroscopy up to 58 GPa at room temperature. The frequency increases under pressure and no anomaly is observed in the pressure range around 10 GPa where electronic topological transitions are expected to occur, and where also ab initio ''frozen phonon'' calculations predict a weak anomaly in the c/a ratio. The relatively large value of the mode Grüneisen parameter ␥ i ϭϪd ln i /d ln V and its strong decrease under pressure are related to the high compressional anisotropy at ambient pressure and the gradual anisotropic → isotropic transition occurring with increasing pressure in Zn, respectively. An irregularity is observed in the pressure dependence of the line width around 10 GPa which may be related to changes in the phonon-phonon and electron-phonon interactions that could be a consequence of the electronic topological transitions.

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Section: Resultsmentioning

confidence: 99%

Pressure shift of the zone-center TO mode of Zn

et al. 2000

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“…We may notice that the available experimental data are related only with atomic motions perpendicular to lattice planes of easy cleavage [{h00} planes in NaCI and basal planes in Zn]. As suggested by Borgonovi, Caglioti & Antal (1963), the structure of basal planes in Zn preserves a strong individuality within the crystal so that one may believe that the manner in which the lattice breaks up upon melting can be analogous to a sequence of successive detachments of layer building units. It would be interesting to investigate if there were some relation between this behaviour of the lattice planes and the anomalous 'increase' of Bragg reflexions, expecially when high-temperature M6ssbauer measurements of DW factors in different crystal directions will be available.…”

Section: Mean-square Vibrational Amplitude Of Atomsmentioning

confidence: 99%

Anharmonic contributions to the Debye–Waller factor for zinc

Albanese¹,

Deriu²,

Ghezzi³

1976

Acta Cryst Sect A

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“…The values of the elastic constants of zinc were measured by Garland and Dalven [23]. The values of the eigenvalues of zinc have been calculated from the frequencies experimentally found from neutron scattering by Borgonovi et al [20].…”

Section: Evaluation Of Atomic Force Constantsmentioning

confidence: 99%

Noncentral Force Model for Hexagonal Close‐Packed Crystal Lattices

Metzbower¹

1967

Physica Status Solidi (b)

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A Born-von Karman model of the hexagonal close-packed crystal lattice was considered using a combination of central and angular forces between various sets of neighbors. The interactions between nearest neighbors in the plane were considered to be central forces while the interaction between both nearest and next-nearest neighbors out of the plane were considered to be noncentral forces, i.e. the interactions involved both central and angular forces. The equations of motion were evolved and the atomic force constants were evaluated by three different methods. The atomic force constants were evaluated 1. from the elastic constants by the method of long waves, 2. from a least squares analysis of the eigenvalues of the secular equation for elastic waves propagating in certain symmetric crystallographic directions at critical points in the Brillouin zone, i.e. from a least squares analysis of the dispersion relations, and 3. from a least squares analysis of the elastic constants and the dispersion relations. The eigenvalues of the secular equation were calculated for a mesh of seven hundred thirty-five (736) points in that portion (one twenty-fourth) of the Brillouin zone irreducible under symmetry operations. The frequency spectrum was obtained from these eigenvalues. The lattice specific heats as a function of temperature were calculated using the appropriate frequency distribution function. The Debye and Einstein characteristic temperatures were also calculated -as a function of temperature and compared to experimental values. The insensitivity of the calculated thermodynamic properties of the hexagonal close-packed crystal lattice on the frequency spectrum is demonstrated for zinc by calculating three different frequency spectra, one for each method of evaluating the atomic force constants, and from these spectra computing the lattice specific heats as a function of temperature. The Debye characteristic temperatures do not change significantly although the details of the frequency spectra differ appreciably. The conclusion has been drawn that better agreement between theory and experiment is reached if angular forces are included in a model of the hexagonal close-packed crystal lattice rather than simply extending the sphere of interaction to more and more neighboring atoms.

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A Study of the Crystal Dynamics of Zinc

Cited by 71 publications

References 12 publications

Pressure shift of the zone-center TO mode of Zn

Pressure shift of the zone-center TO mode of Zn

Anharmonic contributions to the Debye–Waller factor for zinc

Noncentral Force Model for Hexagonal Close‐Packed Crystal Lattices

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