Theory of resonant Raman scattering of tetrahedral amorphous carbon

Physical Review B - Condensed Matter and Materials Physics

Volumn 63, Issue 24, 2001, Pages

  Profeta, Mickael ^a   Mauri, Francesco ^a  

^a UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON;

ARTICLE; CALCULATION; RADIATION SCATTERING; RAMAN SPECTROMETRY; TECHNIQUE; THEORY; VIBRATION;

EID: 0034907347     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.63.245415     Document Type: Article

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19. To perform the projection we have defined for each bond a ‘stretching’ vector in the space of the (formula presented) displacements. The components of each vector involve the displacement of two atoms in the direction of the bond and with opposite orientations. We use these vectors as a (non-orthonormal) basis of the stretching subspace. We define the bending subspace as the complement of the stretching subspace.
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22. In the expression of intensity, Eq. (12), (formula presented) where the contributions (formula presented) and (formula presented) are obtained substituting in Eq. (14) the vibrational eigenvector (formula presented) with its projections in the stretching and bending subspaces, respectively. The intensity is then proportional to (formula presented). The first two terms correspond to the contributions of stretching and bending modes, respectively, whereas the last term corresponds to the overlap term. A similar repartition is used to define the (formula presented) and (formula presented) contributions.