Long-wavelength inference of diatomic-chain parameters

For alternating masses $m_A,m_B$, nearest-neighbour spacing $a$ and equal spring constants $\alpha$, the zone-centre optical angular frequency and acoustic group velocity obeyTherefore $\alpha =m_A{m}_B{\omega }_{\mathrm{op}}^2(0)/[2(m_A+m_B)]$ and $a=v_s\sqrt{(m_A+m_B)/(2\alpha )}$. These infer effective model parameters from a measured intercept and initial slope of a phonon dispersion relation. Fitting a real polar crystal to a nearest-neighbour scalar model does not guarantee that every measured point or its structural spacing is reproduced exactly.