The Vibrational Spectra and Normal Coordinate Analysis of Semiconducting Y2BaCuO5

Both infrared (FTIR) and Raman spectra have been measured for the green semiconducting Y₂BaCuO₅ (2:1:1) in the Y-Ba-Cu-O system. Factor group analysis and normal-coordinate-analysis calculations have been conducted for this phase in order to determine the symmetries, the wavenumber locations and the eigenvector nature of its first-order modes of vibration along with the appropriate set of modified GVF force constants. The predicted vibrational spectral results are in good agreement with the experimentally observed FTIR and Raman spectral data. The generated force constants are interpreted along with those for related phases on the basis of structure.