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A simple and accurate method of calculating phonon spectra in mixedsemiconductors alloys, on the basis of preliminarily (from first principles)relaxed atomic structure, is proposed and tested for (Zn,Be)Se and (Ga,In)Assolid solutions. The method uses an observation that the interatomic forceconstants, calculated ab initio for a number of microscopic configurations inthe systems cited, show a clear linear variation of the main (diagonal) valuesof the interatomic force constants with the corresponding bond length. Weformulate simple rules about how to recover the individual 3x3 subblocks of theforce constants matrix in their local (bonds-related) coordinate systems andhow to transform them into a global (crystal cell-related) coordinate system.Test calculations done for 64-atom supercells representing differentconcentrations of (Zn,Be)Se and (Ga,In)As show that the phonon frequencies andcompositions of eigenvectors are faithfully reproduced in a linearized forceconstants calculation, as compared to true ab initio calculations.

Linearized force constants method for lattice dynamics in mixed semiconductors