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Vibrational and Electronic Properties of Fullerene and Carbon-Based Clusters.

DE2005833761

Publication Date	2002
Personal Author	Xi, X.
Page Count	18
Abstract	Lattice dynamics is of central importance for the mechanism of ferroelectricity. In particular, the soft mode behaviors are directly related to many of their ferroelectric and dielectric properties. In this project, we have carried out experimental studies of the vibrational spectra of SrTiO(sub 3) films grown by pulsed laser deposition using a metal-oxide bilayer structure. Raman scattering, with and without bias electric field, and Fourier-transform far-infrared ellipsometry were utilized. These results are compared with the low-frequency dielectric properties. We found that in the films the soft mode is harder compared to that in bulk crystals, in agreement with the Lyddane-Sachs-Teller (LST) formalism. We have studied electric field-induced Raman scattering in SrTiO(sub 3) thin films using an indium-tin oxide/SrTiO(sub 3)/SrRuO(sub 3) structure. The soft mode polarized along the field becomes Raman active. Experimental data for electric field-induced hardening of the soft modes and the tuning of the static dielectric constant are in agreement described by the LST formalism. The markedly different behavior of the soft modes in thin films from that in the bulk is explained by the existence of local polar regions. The study was extended to Ba(sub x)Sr(sub 1-x)TiO(sub 3) films with Ba contents x = 0.05, 0.1, 0.2 and 0.5. The temperature dependence of the soft mode frequency shows evidence of the ferroelectric phase transition in the films. Relative Raman intensity of hard phonon modes shows the ferroelectric phase transition occurs over a broad range of temperatures in thin films, which is different from bulk behavior. Comparison of temperature evolution of Raman spectra for films grown on SrTiO(sub 3) and LaAlO(sub 3) substrates shows the influence of strain on the temperature of ferroelectric phase transition.
Keywords	Carbon-based clusters Fullerenes Dielectric properties Electric fields Ellipsometry Hardening Phonons Raman spectra Scattering Strains Substrates Temperature dependence Thin films Tuning Polar regions
Source Agency	Technical Information Center Oak Ridge Tennessee
Corporate Authors	Department of Energy, Chicago, IL. Chicago Operations Office.
Document Type	Technical Report
NTIS Issue Number	200519

Vibrational and Electronic Properties of Fullerene and Carbon-Based Clusters.

Vibrational and Electronic Properties of Fullerene and Carbon-Based Clusters.
DE2005833761

Publication Date	2002
Personal Author	Xi, X.
Page Count	18
Abstract	Lattice dynamics is of central importance for the mechanism of ferroelectricity. In particular, the soft mode behaviors are directly related to many of their ferroelectric and dielectric properties. In this project, we have carried out experimental studies of the vibrational spectra of SrTiO(sub 3) films grown by pulsed laser deposition using a metal-oxide bilayer structure. Raman scattering, with and without bias electric field, and Fourier-transform far-infrared ellipsometry were utilized. These results are compared with the low-frequency dielectric properties. We found that in the films the soft mode is harder compared to that in bulk crystals, in agreement with the Lyddane-Sachs-Teller (LST) formalism. We have studied electric field-induced Raman scattering in SrTiO(sub 3) thin films using an indium-tin oxide/SrTiO(sub 3)/SrRuO(sub 3) structure. The soft mode polarized along the field becomes Raman active. Experimental data for electric field-induced hardening of the soft modes and the tuning of the static dielectric constant are in agreement described by the LST formalism. The markedly different behavior of the soft modes in thin films from that in the bulk is explained by the existence of local polar regions. The study was extended to Ba(sub x)Sr(sub 1-x)TiO(sub 3) films with Ba contents x = 0.05, 0.1, 0.2 and 0.5. The temperature dependence of the soft mode frequency shows evidence of the ferroelectric phase transition in the films. Relative Raman intensity of hard phonon modes shows the ferroelectric phase transition occurs over a broad range of temperatures in thin films, which is different from bulk behavior. Comparison of temperature evolution of Raman spectra for films grown on SrTiO(sub 3) and LaAlO(sub 3) substrates shows the influence of strain on the temperature of ferroelectric phase transition.
Keywords	Carbon-based clusters Fullerenes Dielectric properties Electric fields Ellipsometry Hardening Phonons Raman spectra Scattering Strains Substrates Temperature dependence Thin films Tuning Polar regions
Source Agency	Technical Information Center Oak Ridge Tennessee
Corporate Authors	Department of Energy, Chicago, IL. Chicago Operations Office.
Document Type	Technical Report
NTIS Issue Number	200519