Dielectric Properties of High-κ Oxides: Theory and Experiment for Lu2O3

Emiliano Bonera, Giovanna Scarel, Marco Fanciulli, Pietro Delugas, and Vincenzo Fiorentini
Phys. Rev. Lett. 94, 027602 – Published 19 January 2005

Abstract

We present a combined experimental and theoretical analysis of the dielectric and vibrational properties of crystalline lutetium oxide in its ground-state bixbyite structure. The vibrational dielectric function of Lu2O3 thin films grown by atomic-layer deposition was studied by infrared transmission and reflection-absorption spectroscopies, selectively accessing transverse and longitudinal optical frequencies. The static dielectric constant is extracted analyzing the infrared response. We also present first-principles density-functional linear-response calculations, which are in close agreement with experiment, and provide insight into the microscopic nature of vibrational spectra and dielectric properties.

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  • Received 4 September 2004

DOI:https://doi.org/10.1103/PhysRevLett.94.027602

©2005 American Physical Society

Authors & Affiliations

Emiliano Bonera, Giovanna Scarel, and Marco Fanciulli

  • Laboratorio Nazionale Materiali e Dispositivi per la Microelettronica MDM-INFM, via Olivetti 2, 20041 Agrate Brianza (MI), Italy

Pietro Delugas and Vincenzo Fiorentini

  • INFM-SLACS, Sardinian Laboratory for Computational Materials Science, and Department of Physics, University of Cagliari, Cittadella Universitaria, 09042 Monserrato (CA), Italy

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Issue

Vol. 94, Iss. 2 — 21 January 2005

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