Digitale Medien
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
85 (1986), S. 5251-5261
ISSN:
1089-7690
Quelle:
AIP Digital Archive
Thema:
Physik
,
Chemie und Pharmazie
Notizen:
A microscopic theory of softening of elastic modulii in β-NaN3, the high temperature phase of solid sodium azide, is given. The softening of the elastic modulii occurs due to coupling of the rotational degrees of freedom of an azide ion to the translational degrees of freedom of the neighboring ions. The softening of elastic modulus C44 is found to be more pronounced than that of C66, while C14 is found to be independent of temperature. The contribution of fourth order angular momentum terms l=4 to softening are found to be negligible for C44, but are appreciable for C66. A good fit to the Brillouin data of Kushida and Terhune (Ref. 1) is obtained by reducing both the electric charge on the end N atoms of N−3 and the strength of the Born–Mayer repulsive interaction from their values available in the literature. The experimental value of the extrapolated transition temperature Texpc =18 °C agrees well with the calculated transition temperature of Tc =24 °C.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1063/1.451666
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