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Lattice dynamics of orthorhombic NdGaO3
Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. Linköping University, Faculty of Science & Engineering. Univ Nebraska, NE 68588 USA.
Univ Nebraska, NE 68588 USA.
Univ Nebraska, NE 68588 USA.
Univ Nebraska, NE 68588 USA.
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2019 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 99, no 18, article id 184302Article in journal (Refereed) Published
Abstract [en]

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.

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AMER PHYSICAL SOC , 2019. Vol. 99, no 18, article id 184302
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URN: urn:nbn:se:liu:diva-158334DOI: 10.1103/PhysRevB.99.184302ISI: 000468207800003OAI: oai:DiVA.org:liu-158334DiVA, id: diva2:1333864
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Funding Agencies|National Science Foundation [DMR 1808715]; Air Force Office of Scientific Research [FA9550-18-1-0360]; Nebraska Materials Research Science and Engineering Center [DMR 1420645]; Swedish Energy Agency [P45396-1]; Swedish Research Council VR [2016-00889]; Swedish Foundation for Strategic Research [FL12-0181, RIF14-055, EM16-0024]; Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University, Faculty Grant SFO Mat LiU [2009-00971]; University of Nebraska Foundation; J. A. Woollam Foundation; Nebraska Research Initiative

Available from: 2019-07-02 Created: 2019-07-02 Last updated: 2019-11-07

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Mock, AlyssaDarakchieva, VanyaSchubert, Mathias
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