Anisotropy and phonon modes from analysis of the dielectric function tensor and the inverse dielectric function tensor of monoclinic yttrium orthosilicate

A. Mock, R. Korlacki, S. Knight, M. Schubert

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

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, Phys. Rev. B 95, 165202 (2017)2469-995010.1103/PhysRevB.95.165202], 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 Au and 22 Bu 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 Au symmetry and 22 Bu 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 [M. Schubert, Phys Rev. Lett. 117, 215502 (2016)PRLTAO0031-900710.1103/PhysRevLett.117.215502].

Original languageEnglish (US)
Article number165203
JournalPhysical Review B
Volume97
Issue number16
DOIs
StatePublished - Apr 17 2018

Fingerprint

Yttrium
yttrium
Tensors
Anisotropy
tensors
anisotropy
symmetry
ellipsometry
Density functional theory
density functional theory
Spectroscopic ellipsometry
Ellipsometry
Dielectric losses
Phonons
dielectric loss
Eigenvalues and eigenfunctions
eigenvectors
phonons
Wavelength
Crystals

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Anisotropy and phonon modes from analysis of the dielectric function tensor and the inverse dielectric function tensor of monoclinic yttrium orthosilicate. / Mock, A.; Korlacki, R.; Knight, S.; Schubert, M.

In: Physical Review B, Vol. 97, No. 16, 165203, 17.04.2018.

Research output: Contribution to journalArticle

@article{c515df895a3e4b999c45773e133f1b4d,
title = "Anisotropy and phonon modes from analysis of the dielectric function tensor and the inverse dielectric function tensor of monoclinic yttrium orthosilicate",
abstract = "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, Phys. Rev. B 95, 165202 (2017)2469-995010.1103/PhysRevB.95.165202], 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 Au and 22 Bu 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 Au symmetry and 22 Bu 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 [M. Schubert, Phys Rev. Lett. 117, 215502 (2016)PRLTAO0031-900710.1103/PhysRevLett.117.215502].",
author = "A. Mock and R. Korlacki and S. Knight and M. Schubert",
year = "2018",
month = "4",
day = "17",
doi = "10.1103/PhysRevB.97.165203",
language = "English (US)",
volume = "97",
journal = "Physical Review B-Condensed Matter",
issn = "2469-9950",
publisher = "American Physical Society",
number = "16",

}

TY - JOUR

T1 - Anisotropy and phonon modes from analysis of the dielectric function tensor and the inverse dielectric function tensor of monoclinic yttrium orthosilicate

AU - Mock, A.

AU - Korlacki, R.

AU - Knight, S.

AU - Schubert, M.

PY - 2018/4/17

Y1 - 2018/4/17

N2 - 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, Phys. Rev. B 95, 165202 (2017)2469-995010.1103/PhysRevB.95.165202], 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 Au and 22 Bu 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 Au symmetry and 22 Bu 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 [M. Schubert, Phys Rev. Lett. 117, 215502 (2016)PRLTAO0031-900710.1103/PhysRevLett.117.215502].

AB - 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, Phys. Rev. B 95, 165202 (2017)2469-995010.1103/PhysRevB.95.165202], 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 Au and 22 Bu 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 Au symmetry and 22 Bu 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 [M. Schubert, Phys Rev. Lett. 117, 215502 (2016)PRLTAO0031-900710.1103/PhysRevLett.117.215502].

UR - http://www.scopus.com/inward/record.url?scp=85045959936&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85045959936&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.97.165203

DO - 10.1103/PhysRevB.97.165203

M3 - Article

AN - SCOPUS:85045959936

VL - 97

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 2469-9950

IS - 16

M1 - 165203

ER -