Resonant Interaction between Hydrogen Vibrational Modes in AlSb:Se

Vibrational modes and their interactions affect numerous physical processes in condensed-matter systems. In the present work, hydrogen vibrations in Se-doped AlSb were investigated with first-principles calculations. Vibrational frequencies were calculated for the longitudinal, transverse, wag (bending), and stretch modes of the Al-H complex. The Al-H stretch mode interacts with a combination mode involving a wag overtone and transverse fundamental. This resonant interaction yields vibrational states that are linear superpositions of the stretch mode and the combination mode. The spatial extent of such excitations is significantly larger than that of a local vibrational mode.