H. Siethoff et K. Ahlborn, THE DEPENDENCE OF THE DEBYE TEMPERATURE ON THE ELASTIC-CONSTANTS, Physica status solidi. b, Basic research, 190(1), 1995, pp. 179-191
Sophisticated methods have been put forward in the literature to calcu
late Debye temperatures from the elastic constants c(ik). As a simple
alternative method for cubic crystals, a relation is often used that c
orrelates Debye temperature and bulk modulus (c(11) + 2c(12))/3 by a s
quare-root law. It is shown that, with exception of the alkali metals,
such a law is only poorly fulfilled for other cubic elements and comp
ounds. If one takes, however, elastic moduli such as [c(44)(c(11) - c(
12)) (c(11) + c(12) + 2c(44))](1/3) or {C-44[(C-11 - C-12) C-44/2](1/2
) (C-11 - C-12 + C-44)/3}(1/3) instead of the bulk modulus the square-
root law is established for various cubic material classes. This proce
dure eventually allows to easily evaluate hitherto unknown Debye tempe
ratures from the elastic constants with high precision.