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A combined generalized spectroscopic ellipsometry measurement and density functional theory calculation analysis is performed to obtain the complete set of infrared active phonon modes in Lu$_{2}$SiO$_{5}$ with monoclinic crystal structure.…

Materials Science · Physics 2020-04-22 M. Stokey , A. Mock , R. Korlacki , S. Knight , V. Darakchieva S. Schoeche , M. Schubert

We determine the frequency dependence of four independent CdWO$_4$ Cartesian dielectric function tensor elements by generalized spectroscopic ellipsometry within mid-infrared and far-infrared spectral regions. Single crystal surfaces cut…

Materials Science · Physics 2017-04-26 A. Mock , R. Korlacki , S. Knight , M. Schubert

We derive a dielectric function tensor model approach to render the optical response of monoclinic and triclinic symmetry materials with multiple uncoupled infrared and farinfrared active modes. We apply our model approach to monoclinic…

We apply a generalized model for the determination and analysis of the dielectric function of optically anisotropic materials with colour dispersion to phonon modes and show that it can also be generalized to excitonic polarizabilities and…

The anisotropic complex dielectric response was accurately extracted from spectroscopic ellipsometry measurements at phonon frequencies for the three principal crystallographic directions of an orthorhombic (Pbnm) YTiO_3 single crystal. We…

Strongly Correlated Electrons · Physics 2009-11-13 N. N. Kovaleva , A. V. Boris , L. Capogna , J. L. Gavartin , P. Popovich , P. Yordanov , A. Maljuk , A. M. Stoneham , B. Keimer

Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semi-empirical model for anharmonic couplings of third and…

Materials Science · Physics 2015-05-20 K. H. Michel , S. Costamagna , F. M. Peeters

We calculate the lattice dielectric function of strongly anharmonic rutile $\mathrm{TiO}_2$ from ab initio anharmonic lattice dynamics methods. Since an accurate calculation of the $\Gamma$ point phonons is essential for determining optical…

Materials Science · Physics 2023-03-24 Tomohito Amano , Tamio Yamazaki , Ryosuke Akashi , Terumasa Tadano , Shinji Tsuneyuki

The underlying dielectric properties of materials, intertwined with intriguing phenomena such as topological polariton modes and anisotropic thermal conductivities, stem from the anisotropy in atomic vibrations. Conventionally, X-ray…

We report on the temperature dependence of the dielectric tensor elements of $n$-type conductive $\beta$-Ga$_2$O$_3$ from 22$^\circ$C-500$^\circ$C in the spectral range of 1.5~eV--6.4~eV. We present the temperature dependence of the…

Materials Science · Physics 2018-02-14 A. Mock , J. VanDerslice , R. Korlacki , J. A. Woollam , M. Schubert

Monoclinic $\beta$-Ga$_2$O$_3$ films grown on $c$-plane sapphire have been shown to exhibit six $(\bar{2}01)$-plane oriented domains, which are equally-spaced-by-rotation around the surface normal and equally-sized-by-volume that render the…

Identifying and understanding the mechanisms behind strong phonon-phonon scattering in condensed matter systems is critical to maximizing the efficiency of thermoelectric devices. To date, the leading method to address this has been to…

Using a microscopic dipole lattice model including electronic polarization (EP) of ions and local field effects (LFEs) self-consistently, two sets of three equations are deduced for long wavelength in-plane and out-of-plane optical lattice…

Mesoscale and Nanoscale Physics · Physics 2019-06-03 Jian-zhong Zhang

We use the density functional theory and lattice dynamics calculations to investigate the properties of potassium superoxide KO$_2$ in which spin, orbital, and lattice degrees of freedom are interrelated and determine the low-temperature…

Determining the optical and electronic properties of strongly anisotropic materials with symmetries below orthorhombic remains challenging; generalized ellipsometry is a powerful technique in this regard. Here, we employ Mueller matrix…

Strongly Correlated Electrons · Physics 2026-01-06 Achyut Tiwari , Bruno Gompf , Martin Dressel

We present a broad band (THz to UV) ellipsometry study of the anisotropic dielectric response of the orthorhombic perovskite YAlO3. The ellipsometric measurements have been performed on YAlO3 crystals with three different surface cuts and…

Materials Science · Physics 2025-11-18 Laurent Bugnon , Christian Bernhard , Premysl Marsik

The paper suggests to treat the infrared reflectivity spectra of single crystal perovskite relaxors as fine-grained ferroelectric ceramics: locally frozen polarization makes the dielectric function strongly anisotropic in the phonon…

Materials Science · Physics 2009-11-11 J. Hlinka , T. Ostapchuk , D. Noujni , S. Kamba , J. Petzelt

We use a combined generalized spectroscopic ellipsometry and density functional theory approach to determine and analyze the anisotropic dielectric functions of an $\alpha$-Ga$_2$O$_3$ thin film. The sample is grown epitaxially by…

Transition metal dichalcogenide monolayers and heterostructures are highly tunable material systems that provide excellent models for physical phenomena at the two-dimensional (2D) limit. While most studies to date have focused on electrons…

First-principles calculations have been conducted to study the structural, vibrational and dielectric properties of {\beta}-Si3N4. Calculations of the zone-center optical-mode frequencies (including LO-TO splittings), Born effective charge…

Materials Science · Physics 2015-05-28 Yongqing Cai , Qingfeng Zeng , Litong Zhang , Laifei Cheng , Yongdong Xu

The dielectric tensor of $\beta$-Ga$_2$O$_3$ was determined by generalized spectroscopic ellipsometry in a wide spectral range from $0.5\,\mathrm{eV}$ to $8.5\,\mathrm{eV}$ as well as by calculation including quasiparticle bands and…

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