journal article·2022-01-07

Infrared dielectric functions and Brillouin zone center phonons of α−Ga2O3 compared to α - Al2O3

Megan Stokey, Rafał Korlacki, Matthew Hilfiker, Sean Knight, Steffen Richter, Vanya Darakchieva, Riena Jinno, Yongjin Cho, Huili Grace Xing, Debdeep Jena, Yuichi Oshima, Kamruzzaman Khan, Elaheh Ahmadi, Mathias Schubert

Physical Review Materials· Volume 6· Issue 1
Publisher page

Abstract

We determine the anisotropic dielectric functions of rhombohedral $\ensuremath{\alpha}\text{\ensuremath{-}}{\mathrm{Ga}}2{\mathrm{O}}3$ by far-infrared and infrared generalized spectroscopic ellipsometry and derive all transverse optical and longitudinal optical phonon mode frequencies and broadening parameters. We also determine the high-frequency and static dielectric constants. We perform density functional theory computations and determine the phonon dispersion for all branches in the Brillouin zone, and we derive all phonon mode parameters at the Brillouin zone center including Raman-active, infrared-active, and silent modes. Excellent agreement is obtained between our experimental and computation results as well as among all previously reported partial information from experiment and theory. We also compute the same information for $\ensuremath{\alpha}\text{\ensuremath{-}}{\mathrm{Al}}2{\mathrm{O}}3$, the binary parent compound for the emerging alloy of $\ensuremath{\alpha}$-(${\mathrm{Al}}x{\mathrm{Ga}}_{1\ensuremath{-}x}{)}2{\mathrm{O}}3$, and use results from previous investigations [Schubert, Tiwald, and Herzinger, Phys. Rev. B 61, 8187 (2000)] to compare all properties among the two isostructural compounds. From both experimental and theoretical investigations, we compute the frequency shifts of all modes between the two compounds. Additionally, we calculate overlap parameters between phonon mode eigenvectors and discuss the possible evolution of all phonon modes into the ternary alloy system and whether modes may form single-mode or more complex mode behaviors.
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Research context

OpenAlex topics: Ga2O3 and related materials · ZnO doping and properties · Electronic and Structural Properties of Oxides

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Electrical and Computer Engineering, University of Nebraska-Lincoln, Lincoln, Nebraska 68588, USA

Terahertz Materials Analysis Center and Center for III-N Technology, C3NiT – Janzèn, Department of Physics, Chemistry and Biology (IFM), Linköping University, 58183 Linköping, Sweden

School of Electrical and Computer Engineering, Cornell University, Ithaca, New York 14853, USA and Department of Electronic Science and Engineering, Kyoto University, Kyoto, 615-8510, Japan

School of Electrical and Computer Engineering, Cornell University, Ithaca, New York 14853, USA

School of Electrical and Computer Engineering, Cornell University, Ithaca, New York 14853, USA and Department of Material Science and Engineering, Cornell University, Ithaca, New York 14853, USA

Optical Single Crystals Group, National Institute for Materials Science, Tsukuba, Ibaraki 305-0044, Japan

Electrical Engineering and Computer Science Department, University of Michigan, Ann Arbor, Michigan 48109, USA

Department of Electrical and Computer Engineering, University of Nebraska-Lincoln, Lincoln, Nebraska 68588, USA and Terahertz Materials Analysis Center and Center for III-N Technology, C3NiT – Janzèn, Department of Physics, Chemistry and Biology (IFM), Linköping University, 58183 Linköping, Sweden

Funding

National Science Foundation · Air Force Office of Scientific Research · Knut och Alice Wallenbergs Stiftelse · Japan Society for the Promotion of Science · Vetenskapsrådet · Stiftelsen för Strategisk Forskning · VINNOVA · Linköpings Universitet

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