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National Highway Traffic Safety Administration, Washington, D.C.

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We report interesting anomalies in the temperature dependent Raman spectra of FeSe0.82 measured from 3 K to 300 K in the spectral range from 60 to 1800 cm(-1) and determine their origin using complementary first-principles density functional calculations. A phonon mode near 100 cm-1 exhibits a sharp increase by similar to 5% in the frequency below a temperature T-s (similar to 100 K) attributed to strong spin-phonon coupling and onset of short-range antiferromagnetic order. In addition, two high frequency modes are observed at 1350 cm-1 and 1600 cm-1, attributed to electronic Raman scattering from (x(2)-y(2)) to xz/yz d-orbitals of Fe. (C) 2010 Elsevier Ltd. All rights reserved.

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Back Row: Maura Purdon (Coach), Kelly Grantham, Liz Jansen, Diane Thiesen, Louise Argenta, Rhonda, Oatman, Kelly Fahlenbock (Asst. Coach) Middle Row: Kaaren Quartermain, Sherri Crossman, Sue Crowley, Kin Zamecnik Front Row: June LeDrew, Darlene Danis Absent: Margo Schijns