J. Dekinder et al., VIBRATIONAL COUPLING IN DISORDERED-SYSTEMS - SOLID H-2 AND D-2, Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties, 71(4), 1995, pp. 669-675
High-resolution Raman measurements were performed of the intramolecula
r vibrational transition in mixed crystals of (o-H-2)(x)(p-H-2)(1-x) a
nd (p-D-2)(x)(o-D-2)(1-x). The spectra obtained clearly show the effec
t of coupling between the vibrational states of the two constituent mo
lecules. Calculations of the line shapes by the coherent potential app
roximation and by diagonalization of the dynamical matrix of a 5324 mo
lecule supercell are compared with the experimental results.