Lattice dynamics of orthorhombic NdGaO3

A. Mock, R. Korlacki, S. Knight, M. Stokey, A. Fritz, V. Darakchieva, M. Schubert

Research output: Contribution to journalArticle

4 Scopus citations

Abstract

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 80-1200cm-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.

Original languageEnglish (US)
Article number184302
JournalPhysical Review B
Volume99
Issue number18
DOIs
StatePublished - May 17 2019

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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    Mock, A., Korlacki, R., Knight, S., Stokey, M., Fritz, A., Darakchieva, V., & Schubert, M. (2019). Lattice dynamics of orthorhombic NdGaO3. Physical Review B, 99(18), [184302]. https://doi.org/10.1103/PhysRevB.99.184302