On the Calculation of the Temperature Variation of the Grüneisen Parameters for Materials of bcc Structure

Kharoo, H. L.; Gupta, O. P.; Hemkar, M. P.

doi:10.1143/jpsj.43.1224

Cited by 2 publications

(1 citation statement)

References 19 publications

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“…The lattice specific heat at constant volume and Debye-Waller (DW) factor are calculated as described earlier [15]. To calculate the Grüneisen parameter, we follow our earlier paper [19]. In the present scheme, the four force constants are related to three elastic constants and one ZB frequency.…”

Section: The Modelmentioning

confidence: 99%

Lattice Dynamical Properties of Potassium

Gupta

1981

Zeitschrift Für Naturforschung A

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The phonon dispersion, temperature dependence of the Debye temperature, Debye-Waller factor, and Grüneisen parameter of potassium are calculated using a realistic lattice dynamical model. The model considers short range pairwise forces effective upto second neighbors and an improved electron ion interaction on the lines of Bhatia. An equilibrium condition, which preserves the crystal stability, is obtained. The theoretical results are found to be in good agreement with the experimental values.

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Section: The Modelmentioning

confidence: 99%

Lattice Dynamical Properties of Potassium

Gupta

1981

Zeitschrift Für Naturforschung A

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Analysis of the Grüneisen parameters of some fcc metals by an improved elastic force model

Gupta¹,

Kharoo

1981

The Journal of Chemical Physics

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A technique to improve the epitaxial growth of some fcc and bcc metals on rock salt An analysis of the temperature dependence of Griineisen parameters of copper, silver, gold, and aluminium is performed in terms of the elastic constants and their pressure derivatives by a new lattice dynamical model. The model satisfies the symmetry requirements of the lattice and the lattice is in eqUilibrium without recourse to external forces. The microscopic Griineisen parameters Yqj are calculated as a function of wave vector q, along the principal symmetry directions, (100), (110), (III), (210), (211), and (221), and the values are averaged over the wave vector space in the first Brillouin zone. For the evaluation of integrals, the modified Houston's method is used. The Griineisen parameters computed in our present study show reasonably satisfactory agreement with experimental measurements.

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On the Calculation of the Temperature Variation of the Grüneisen Parameters for Materials of bcc Structure

Cited by 2 publications

References 19 publications

Lattice Dynamical Properties of Potassium

Lattice Dynamical Properties of Potassium

Analysis of the Grüneisen parameters of some fcc metals by an improved elastic force model

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