Lattice dynamics of orthorhombic NdGaO3

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

Research output: Contribution to journalArticle

1 Citation (Scopus)

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

Fingerprint

Lattice vibrations
Tensors
Neodymium
Spectroscopic ellipsometry
Infrared radiation
Density functional theory
neodymium
tensors
ellipsometry
Gallium
Dielectric losses
density functional theory
gallates
gallium oxides
Permittivity
dielectric loss
Crystalline materials
Wavelength
Oxides
permittivity

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

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

Lattice dynamics of orthorhombic NdGaO3. / Mock, A.; Korlacki, R.; Knight, S.; Stokey, M.; Fritz, A.; Darakchieva, V.; Schubert, Mathias.

In: Physical Review B, Vol. 99, No. 18, 184302, 17.05.2019.

Research output: Contribution to journalArticle

Mock, A, Korlacki, R, Knight, S, Stokey, M, Fritz, A, Darakchieva, V & Schubert, M 2019, 'Lattice dynamics of orthorhombic NdGaO3', Physical Review B, vol. 99, no. 18, 184302. https://doi.org/10.1103/PhysRevB.99.184302
Mock A, Korlacki R, Knight S, Stokey M, Fritz A, Darakchieva V et al. Lattice dynamics of orthorhombic NdGaO3. Physical Review B. 2019 May 17;99(18). 184302. https://doi.org/10.1103/PhysRevB.99.184302
Mock, A. ; Korlacki, R. ; Knight, S. ; Stokey, M. ; Fritz, A. ; Darakchieva, V. ; Schubert, Mathias. / Lattice dynamics of orthorhombic NdGaO3. In: Physical Review B. 2019 ; Vol. 99, No. 18.
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