Lattice dynamics of orthorhombic NdGaO3

Mock, Alyssa (author): Linköpings universitet,Halvledarmaterial,Tekniska fakulteten,Univ Nebraska, NE 68588 USA

Darakchieva, Vanya (author): Linköpings universitet,Halvledarmaterial,Tekniska fakulteten

Schubert, Mathias (author): Linköpings universitet,Halvledarmaterial,Tekniska fakulteten,Univ Nebraska, NE 68588 USA; Leibniz Inst Polymer Res Dresden, Germany

(creator_code:org_t)

AMER PHYSICAL SOC, 2019
2019
English.
In: Physical Review B. - : AMER PHYSICAL SOC. - 2469-9950 .- 2469-9969. ; 99:18

Related links:: https://liu.diva-por... (primary) (Raw object); show more...; https://urn.kb.se/re...; https://doi.org/10.1...; show less...

Abstract Subject headings

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 infrared-active 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.

By the author/editor: Mock, Alyssa; Korlacki, R.; Knight, S.; Stokey, M.; Fritz, A.; Darakchieva, Van ...; show more...; Schubert, Mathia ...; show less...

About the subject

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