A new rotation sum rule for the atomic force constants

作者:Wang Shao Feng*; Zhang Hui Li; Wu Xiao Zhi
来源:Journal of Physics: Condensed Matter , 2007, 19(38): 386233.
DOI:10.1088/0953-8984/19/38/386233

摘要

A new sum rule has been derived for the atomic force constants from the invariance of the potential energy under the rigid body rotation of a crystal. For instance, it is found that there are actually two force constants in the nearest-neighbour approximation of a face-centred cubic (FCC) lattice, rather than three force constants, as usually supposed.