Manifestation of the Cooperative Jahn-Teller Effect in the Raman Spectra of Bu2CuxZn1-xWO6Mixed Crystals

B. L. Ramakrishna; D. Reinen; M. Atanasov

doi:10.1006/jssc.1996.7245

Manifestation of the Cooperative Jahn-Teller Effect in the Raman Spectra of Bu₂Cu_xZn_1-xWO₆Mixed Crystals

B. L. Ramakrishna, D. Reinen, M. Atanasov

Engineering of Matter, Transport and Energy, School for (IAFSE-SEMTE)

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

Raman spectra of Ba₂Cu_xZn_1-xWO₆mixed crystals (x=0.0 to 0.4 andx=1) are reported and shown to display considerable enhancement of Raman intensity for the WO₆vibration withE_g(O_h) symmetry when increasing the concentration of Cu²⁺. Ab initio calculations of Raman frequencies and intensities for a W(OH)₆model cluster indicate that theA_1g(D_4H) component of this vibration may gain considerable intensity via mixing with the totally symmetric stretchingA_1g(O_h) vibration when lowering the symmetry fromO_htoD_4h, thus reflecting an indirect influence of Jahn-Teller distorted CuO₆centers on neighboring WO₆octahedra. Similarly striking is the change of the Raman spectrum in the energy region of theT_2gmodes, when switching from the cubic phase with disordered local distortions in the CuO₆-WO₆frame to the long-range cooperative Jahn-Teller order in Ba₂CuWO₆. It is concluded that Raman spectra can be used as a rather sensitive probe for detecting Jahn-Teller distortions in mixed crystals, thus providing a valuable addition to other spectroscopic techniques.

Original language	English (US)
Pages (from-to)	117-122
Number of pages	6
Journal	Journal of Solid State Chemistry
Volume	129
Issue number	1
DOIs	https://doi.org/10.1006/jssc.1996.7245
State	Published - Feb 15 1997

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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@article{9023177d02414628a8e88a793b292486,

title = "Manifestation of the Cooperative Jahn-Teller Effect in the Raman Spectra of Bu2CuxZn1-xWO6Mixed Crystals",

abstract = "Raman spectra of Ba2CuxZn1-xWO6mixed crystals (x=0.0 to 0.4 andx=1) are reported and shown to display considerable enhancement of Raman intensity for the WO6vibration withEg(Oh) symmetry when increasing the concentration of Cu2+. Ab initio calculations of Raman frequencies and intensities for a W(OH)6model cluster indicate that theA1g(D4H) component of this vibration may gain considerable intensity via mixing with the totally symmetric stretchingA1g(Oh) vibration when lowering the symmetry fromOhtoD4h, thus reflecting an indirect influence of Jahn-Teller distorted CuO6centers on neighboring WO6octahedra. Similarly striking is the change of the Raman spectrum in the energy region of theT2gmodes, when switching from the cubic phase with disordered local distortions in the CuO6-WO6frame to the long-range cooperative Jahn-Teller order in Ba2CuWO6. It is concluded that Raman spectra can be used as a rather sensitive probe for detecting Jahn-Teller distortions in mixed crystals, thus providing a valuable addition to other spectroscopic techniques.",

author = "Ramakrishna, {B. L.} and D. Reinen and M. Atanasov",

note = "Funding Information: This study was supported financially by a NATO research grant. Thanks are due to Prof. Dr. G. H. Wolf, Arizona State University, for supplying the Raman spectra.",

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AU - Ramakrishna, B. L.

AU - Reinen, D.

AU - Atanasov, M.

N1 - Funding Information: This study was supported financially by a NATO research grant. Thanks are due to Prof. Dr. G. H. Wolf, Arizona State University, for supplying the Raman spectra.

PY - 1997/2/15

Y1 - 1997/2/15

N2 - Raman spectra of Ba2CuxZn1-xWO6mixed crystals (x=0.0 to 0.4 andx=1) are reported and shown to display considerable enhancement of Raman intensity for the WO6vibration withEg(Oh) symmetry when increasing the concentration of Cu2+. Ab initio calculations of Raman frequencies and intensities for a W(OH)6model cluster indicate that theA1g(D4H) component of this vibration may gain considerable intensity via mixing with the totally symmetric stretchingA1g(Oh) vibration when lowering the symmetry fromOhtoD4h, thus reflecting an indirect influence of Jahn-Teller distorted CuO6centers on neighboring WO6octahedra. Similarly striking is the change of the Raman spectrum in the energy region of theT2gmodes, when switching from the cubic phase with disordered local distortions in the CuO6-WO6frame to the long-range cooperative Jahn-Teller order in Ba2CuWO6. It is concluded that Raman spectra can be used as a rather sensitive probe for detecting Jahn-Teller distortions in mixed crystals, thus providing a valuable addition to other spectroscopic techniques.

AB - Raman spectra of Ba2CuxZn1-xWO6mixed crystals (x=0.0 to 0.4 andx=1) are reported and shown to display considerable enhancement of Raman intensity for the WO6vibration withEg(Oh) symmetry when increasing the concentration of Cu2+. Ab initio calculations of Raman frequencies and intensities for a W(OH)6model cluster indicate that theA1g(D4H) component of this vibration may gain considerable intensity via mixing with the totally symmetric stretchingA1g(Oh) vibration when lowering the symmetry fromOhtoD4h, thus reflecting an indirect influence of Jahn-Teller distorted CuO6centers on neighboring WO6octahedra. Similarly striking is the change of the Raman spectrum in the energy region of theT2gmodes, when switching from the cubic phase with disordered local distortions in the CuO6-WO6frame to the long-range cooperative Jahn-Teller order in Ba2CuWO6. It is concluded that Raman spectra can be used as a rather sensitive probe for detecting Jahn-Teller distortions in mixed crystals, thus providing a valuable addition to other spectroscopic techniques.

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Manifestation of the Cooperative Jahn-Teller Effect in the Raman Spectra of Bu₂Cu_xZn_1-xWO₆Mixed Crystals

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