scholarly journals Raman wavenumbers calculated as a function of pressure from the mode Grüneisen parameter of PZT (x=0.48) ceramic close to the monoclinic-cubic transition

2019 ◽  
Vol 09 (05) ◽  
pp. 1950039
Author(s):  
A. Kiraci
Keyword(s):  
Pressure Dependence ◽  
Thermodynamic Quantities ◽  
Grüneisen Parameter ◽  
Volume Data ◽  
Expansion Formula ◽  
Gruneisen Parameter ◽  
Raman Modes ◽  
Isothermal Mode ◽  
Perovskite Type ◽  
Good Agreement

The isothermal mode Grüneisen parameter [Formula: see text] of some Raman modes in [Formula: see text]TixO3 (PZT, [Formula: see text]) were calculated as a function of pressure by means of the observed pressure-dependent volume data of PZT ([Formula: see text]) crystal from the literature at room temperature of 298[Formula: see text]K. Those calculated values of [Formula: see text] were then used to compute the pressure dependence of the Raman modes in PZT ([Formula: see text]) ceramic studied here. The observed and calculated values of the Raman wavenumbers in PZT were in good agreement, which indicates that the isothermal mode Grüneisen parameter can also be used to predict the pressure-dependent wavenumbers of some other perovskite-type crystals. Additionally, the pressure dependence of the thermodynamic quantities such as isothermal compressibility [Formula: see text], thermal expansion [Formula: see text] and the specific heat [Formula: see text] of PZT ([Formula: see text]) ceramic were predicted at constant temperature of 298[Formula: see text]K. Here, the experimentally measurable thermodynamic quantities calculated for PZT ([Formula: see text]) ceramics provide theoretically a significant opportunity for testing.

RAMAN STUDY OF BENZENE NEAR THE MELTING POINT

2013 ◽  
Vol 27 (14) ◽  
pp. 1350063 ◽  
Author(s):  
H. YURTSEVEN ◽  
E. ÇETINBAŞ İŞERI
Keyword(s):  
Melting Point ◽  
Molar Volume ◽  
Grüneisen Parameter ◽  
Volume Data ◽  
Gruneisen Parameter ◽  
Liquid Phases ◽  
Raman Study ◽  
Lattice Modes ◽  
Good Agreement

We calculate here the Raman frequencies of some lattice modes as a function of pressure at constant temperatures for the solid and liquid phases of benzene. The observed data for the molar volume from literature is used to calculate the Raman frequencies through the mode Grüneisen parameter in benzene. Our calculated frequencies are in good agreement with the observed data when the mode Grüneisen parameter is taken as a constant at one particular pressure in solid benzene. It is shown here that the Raman frequencies can be calculated from the volume data, as demonstrated for benzene here.

Pressure dependence of the transverse optical mode Grüneisen parameter of crystals

1995 ◽  
Vol 19 (4) ◽  
pp. 403-408 ◽  
Author(s):  
L. Tribe ◽  
R.M. Fracchia ◽  
J.A.O. Bruno ◽  
A. Batana
Keyword(s):  
Pressure Dependence ◽  
Transverse Optical ◽  
Grüneisen Parameter ◽  
Optical Mode ◽  
Gruneisen Parameter

Pressure Dependence of the Thermodynamic Quantities in Phase II of Solid Benzene

2013 ◽  
Vol 32 (5) ◽  
pp. 421-425 ◽  
Author(s):  
H. Yurtseven ◽  
E. Sevinc
Keyword(s):  
Phase Ii ◽  
Pressure Dependence ◽  
Isothermal Compressibility ◽  
Molecular Crystal ◽  
Pressure Range ◽  
High Pressures ◽  
Solid Phase ◽  
Experimental Measurements ◽  
Thermodynamic Quantities ◽  
Volume Data

AbstractThe thermodynamic quantities such as the thermal expansion (αp), isothermal compressibility (KT) and the specific heat (CP − CV), are predicted at various pressures up to 26 GPa (T = 540 K) in the solid phase II of benzene using volume data from the literature. The Pippard relations are examined using the pressure dependence of αp, KT and CP − CV and the value of the slope dP/dT is deduced for the solid phase II of benzene. The thermodynamic quantities studied here decrease with increasing pressure, as expected, which can be compared with the experimental measurements for the solid phase II of benzene. We find that the Pippard relations are validated within the pressure range considered, in particular, at high pressures for the solid phase II of this molecular crystal.

Pressure dependence of the Grüneisen parameter and melting temperature of some metals

2021 ◽  
pp. 2150255
Author(s):  
K. Sunil ◽  
D. Ashwini ◽  
Vijay S. Sharma
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Equation Of State ◽  
Pressure Dependence ◽  
High Pressures ◽  
Grüneisen Parameter ◽  
Thermal Equation ◽  
Gruneisen Parameter ◽  
Melting Temperatures ◽  
Volume Dependence

We have used a method for determining volume dependence of the Grüneisen parameter in the Lindemann law to study the pressure dependence of melting temperatures in case of 10 metals viz. Cu, Mg, Pb, Al, In, Cd, Zn, Au, Ag and Mn. The reciprocal gamma relationship has been used to estimate the values of Grüneisen parameters at different volumes. The results for melting temperatures of metals at high pressures obtained in this study using the Lindemann law of melting are compared with the available experimental data and also with the values calculated from the instability model based on a thermal equation of state. The analytical model used in this study is much simpler than the accurate DFT calculations and molecular dynamics.

Theoretical Determination of Pressure-Volume-Temperature Relationship of Some Alkali Halides

2008 ◽  
Vol 272 ◽  
pp. 107-116
Author(s):  
Quan Liu
Keyword(s):  
Alkali Halides ◽  
Temperature Relationship ◽  
Grüneisen Parameter ◽  
Gruneisen Parameter ◽  
Volume Dependence ◽  
Compression Data ◽  
Experimental Values ◽  
Relationship Of ◽  
Good Agreement

The Chopelas-Boehler approximation for the volume dependence of the Anderson-Gruneisen parameter along isotherms and the new approximation for the volume dependence of the Anderson-Gruneisen parameter along isobars have been used to study the pressure-volume-temperature relationship for LiF, NaF and CsCl crystals up to a pressure of 90kbar and in the temperature range 298-1073K. The calculated values of compression data and experimental values are found to be in good agreement.

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