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Anisotropy and phonon modes from analysis of the dielectric function tensor and the inverse dielectric function tensor of monoclinic yttrium orthosilicate
Univ Nebraska, NE 68588 USA.
Univ Nebraska, NE 68588 USA.
Univ Nebraska, NE 68588 USA.
Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. Linköping University, Faculty of Science & Engineering. Univ Nebraska, NE 68588 USA; Leibniz Inst Polymer Res Dresden, Germany.ORCID iD: 0000-0001-6238-663X
2018 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 97, no 16, article id 165203Article in journal (Refereed) Published
Abstract [en]

We determine the frequency dependence of the four independent Cartesian tensor elements of the dielectric function for monoclinic symmetry Y2SiO5 using generalized spectroscopic ellipsometry from 40-1200 cm(-1). Three different crystal cuts, each perpendicular to a principle axis, are investigated. We apply our recently described augmentation of lattice anharmonicity onto the eigendielectric displacement vector summation approach [A. Mock et al., Phys. Rev. B 95, 165202 (2017)], and we present and demonstrate the application of an eigendielectric displacement loss vector summation approach with anharmonic broadening. We obtain an excellent match between all measured and model-calculated dielectric function tensor elements and all dielectric loss function tensor elements. We obtain 23 A(u) and 22 B-u symmetry long-wavelength active transverse and longitudinal optical mode parameters including their eigenvector orientation within the monoclinic lattice. We perform density functional theory calculations and obtain 23 A(u) symmetry and 22 B-u transverse and longitudinal optical mode parameters and their orientation within the monoclinic lattice. We compare our results from ellipsometry and density functional theory and find excellent agreement. We also determine the static and above reststrahlen spectral range dielectric tensor values and find a recently derived generalization of the Lyddane-Sachs-Teller relation for polar phonons in monoclinic symmetry materials satisfied.

Place, publisher, year, edition, pages
AMER PHYSICAL SOC , 2018. Vol. 97, no 16, article id 165203
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URN: urn:nbn:se:liu:diva-147801DOI: 10.1103/PhysRevB.97.165203ISI: 000430162300002OAI: oai:DiVA.org:liu-147801DiVA, id: diva2:1205638
Note

Funding Agencies|National Science Foundation (NSF) through the Center for Nanohybrid Functional Materials [EPS-1004094]; Nebraska Materials Research Science and Engineering Center (MRSEC) [DMR-1420645]; University of Nebraska-Lincoln; J. A. Woollam Co., Inc.; J. A. Woollam Foundation; [CMMI 1337856]; [EAR 1521428]

Available from: 2018-05-14 Created: 2018-05-14 Last updated: 2018-08-29

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