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5. ATOMIC DYNAMICS IN AMORPHOUS SOLIDS Crystalline solids phonons in the reciprocal lattice
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C p (T) = C Debye T 3 2 Crystalline solids Debye Theory g( ) = 2 / 2 2 v D 3
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ATOMIC DYNAMICS Hamiltonian for lattice vibrations: Eq. of motion: n = 1, …, N = 1, …, r i = x, y, z If: Dynamical matrix D has 3Nr real eigenvalues j 2 and corresponding eigenvectors u n i (j) In periodic crystals: q only 3r curves j (q) : 3 acoustic branches j (q 0) 0 3(r-1) optic branches j (q 0) const.
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Dispersion relations (q) in amorphous solids
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Does exist a quantity which can describe sensibly phonon modes in amorphous solids? YES: the vibrational density of states (VDOS): g( )·d = number of states with frequencies between and d ! For crystals:
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COMPUTER SIMULATIONS
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EXPERIMENTAL TECHNIQUES
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RAMAN SPECTROSCOPY In amorphous solids, there is a breakdown of the Raman selection rules in crystals for the wavevector ALL vibrational modes contribute to Raman scattering (first-order scattering), in contrast to the case of crystals (second-order scattering due to selction rules)
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RAMAN SPECTROSCOPY BOSON PEAK Competition between increasing g( ) and decreasing Bose-Einstein factor ???
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RAMAN SPECTROSCOPY BOSON PEAK Martin & Brenig theory: a peak in the coupling coefficient C( ) due to elastoacoustic disorder ??
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RAMAN SPECTROSCOPY BOSON PEAK [Sokolov et al. 1994] The Boson Peak is a peak in C( ) g( ) / 2 !!!
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Brillouin scattering: Experimental set-up
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BRILLOUIN SCATTERING: ethanol
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INELASTIC NEUTRON SCATTERING
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RAMAN SCATTERING The Boson Peak is a peak in C( ) g( ) / 2 !!!
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Damped Harmonic Oscillator INELASTIC X-RAY SCATTERING
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