Complete dispersion analysis of single crystal neodymium gallate

Höfer, Sonja; Uecker, R.; Kwasniewski, Albert; Popp, Jürgen; Mayerhöfer, Thomas G.

doi:10.1016/j.vibspec.2015.03.003

Cited by 8 publications

(9 citation statements)

References 17 publications

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“…The lattice parameters and atomic positions of symmetry-unique atoms within the unit cell are provided in Tables I and II. Because many previous studies on NdGaO 3 used the Pbnm cell for identification, even if sometimes indicated otherwise [10], in all places where we compare our results with the literature, for the sake of consistency we convert the literature data given in the Pbnm to the Pnma cell, with b having the longest unit cell dimension. The unit cell contains four chemical units, which results in 20 atoms and 60 zone-center phonon modes classified according to the irreducible representation: are active in the infrared.…”

Section: A Symmetry Coordinate System and Crystal Structurementioning

confidence: 99%

“…High-frequency dielectric constants have been reported in the literature and are included in Table XI for comparison. Höfer et al [10] and Suda et al [13] provide the anisotropic high-frequency dielectric tensor with values along the three crystallographic directions determined from analysis of reflectivity data. Zhang et al [7] also provided a high-frequency dielectric constant; however the crystal axis assignment was unclear in Ref.…”

Section: B Anisotropic Static and High-frequency Dielectric Constantsmentioning

confidence: 99%

“…We compare our results with literature values of experimentally identified long-wavelength-active TO and LO modes by reflectivity measurements. Höfer et al [10] identified the full set of 9 TO and LO mode pairs with B 2u symmetry oriented along the a axis. Frequency parameters of TO and LO modes with B 2u symmetry identified in this work agree very well, only varying by a few cm −1 .…”

Section: To and Lo Mode Analysismentioning

confidence: 99%

“…Literature data have been converted to the Pnma cell used in the present study. Note that Ref [10]. also included parameters from an additional oscillator centered near 367.6 cm −1 , which does not correspond to any feature identified in this work or predicted by theory.…”

mentioning

confidence: 94%

“…Höfer et al identified and reported a set of transverse optical and longitudinal optical lattice modes for the three major crystal directions. However, the set remained incomplete [10].…”

Section: Introductionmentioning

confidence: 99%

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Lattice dynamics of orthorhombic NdGaO3

et al. 2019

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A complete set of infrared-active and Raman-active lattice modes is obtained from density functional theory calculations for single-crystalline centrosymmetric orthorhombic neodymium gallate. The results for infraredactive modes are compared with an analysis of the anisotropic long-wavelength properties using generalized spectroscopic ellipsometry. The frequency-dependent dielectric function tensor and dielectric loss function tensor of orthorhombic neodymium gallium oxide are reported in the spectral range of 80-1200 cm −1. A combined eigendielectric displacement vector summation and dielectric displacement loss vector summation approach augmented by considerations of lattice anharmonicity is utilized to describe the experimentally determined tensor elements. All infrared-active transverse and longitudinal optical mode pairs obtained from density functional theory calculations are identified by our generalized spectroscopic ellipsometry investigation. The results for Raman-active modes are compared to previously published experimental observations. Static and high-frequency dielectric constants from theory as well as experiment are presented and discussed in comparison with values reported previously in the literature.

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Section: A Symmetry Coordinate System and Crystal Structurementioning

confidence: 99%

Section: B Anisotropic Static and High-frequency Dielectric Constantsmentioning

confidence: 99%

Section: To and Lo Mode Analysismentioning

confidence: 99%

mentioning

confidence: 94%

“…Höfer et al identified and reported a set of transverse optical and longitudinal optical lattice modes for the three major crystal directions. However, the set remained incomplete [10].…”

Section: Introductionmentioning

confidence: 99%

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