Ab initio lattice dynamics of mixed semiconductors

Abstract

This contribution sums up the studies done during last ten or so years at our laboratory, emphasizing notably the context of first-principles calculations, devoted to elucidating the vibration spectra of pseudobinary semiconductor alloys. The "percolation model" due to O. Pagès is brought into consideration as that going beyond the historically important modified-random-element-isodisplacement (MREI) model by Chang and Mitra. Essential parameters of the percolation model are explained, and how they can be deduced from (or, tested by comparison with) first-principles calculations on selected benchmark systems. Different manifestations of the percolation model / ab inito interplay are briefly discussed.