Lattice dynamics of orthorhombic NdGaO3

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Mock, AlyssaLinköpings universitet,Halvledarmaterial,Tekniska fakulteten,Univ Nebraska, NE 68588 USA (author)

Lattice dynamics of orthorhombic NdGaO3

Article/chapterEnglish2019

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AMER PHYSICAL SOC,2019
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LIBRIS-ID:oai:DiVA.org:liu-158334
https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-158334URI
https://doi.org/10.1103/PhysRevB.99.184302DOI

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Language:English
Summary in:English

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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
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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NATURVETENSKAP Fysik Annan fysik hsv//swe
NATURAL SCIENCES Physical Sciences Other Physics Topics hsv//eng

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Korlacki, R.Univ Nebraska, NE 68588 USA (author)
Knight, S.Univ Nebraska, NE 68588 USA (author)
Stokey, M.Univ Nebraska, NE 68588 USA (author)
Fritz, A.Univ Nebraska, NE 68588 USA (author)
Darakchieva, VanyaLinköpings universitet,Halvledarmaterial,Tekniska fakulteten(Swepub:liu)vanda79 (author)
Schubert, MathiasLinköpings universitet,Halvledarmaterial,Tekniska fakulteten,Univ Nebraska, NE 68588 USA; Leibniz Inst Polymer Res Dresden, Germany(Swepub:liu)schma39 (author)
Linköpings universitetHalvledarmaterial (creator_code:org_t)

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In:Physical Review B: AMER PHYSICAL SOC99:182469-99502469-9969

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