Repulsive energy and the grüneisen parameter of alkali halides calculated on the basis of a quantum-statistical ab initio theory

1982 ◽  
Vol 114 (2) ◽  
pp. 589-598 ◽  
Author(s):  
M. Kucharczyk ◽  
S. Olszewski
Keyword(s):  
Ab Initio ◽  
Alkali Halides ◽  
Grüneisen Parameter ◽  
Gruneisen Parameter ◽  
Repulsive Energy ◽  
Ab Initio Theory ◽  
Quantum Statistical

Pressure derivative of the melting temperature for some alkali halides

2010 ◽  
Vol 88 (3) ◽  
pp. 175-179
Author(s):  
Chuanhui Nie
Keyword(s):  
High Temperature ◽  
Melting Temperature ◽  
Close Agreement ◽  
Ambient Pressure ◽  
Alkali Halides ◽  
Grüneisen Parameter ◽  
Pressure Derivative ◽  
Gruneisen Parameter ◽  
Theory And Experiment

Assuming that the Anderson–Grüneisen parameter δT and the Grüneisen parameter γ are constant at high temperature and ambient pressure, we calculate the pressure derivative of melting temperature for some alkali halides (NaCl, NaBr, NaI, KCl, KBr, KI), and compare them with the results of other models. A close agreement between theory and experiment reveals the validity of the present work.

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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