Effective masses and complex dielectric function of cubic Hf O2

J. C. Garcia, L. M R Scolfaro, J. R. Leite, A. T. Lino, V. N. Freire, G. A. Farias, E. F. Da Silva

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31 Scopus citations

Abstract

The electronic band structure of cubic Hf O2 is calculated using an ab initio all-electron self-consistent linear augmented plane-wave method, within the framework of the local-density approximation and taking into account full-relativistic contributions. From the band structure, the carrier effective masses and the complex dielectric function are obtained. The -isotropic heavy and light electron effective masses are shown to be several times heavier than the electron tunneling effective mass measured recently. The imaginary part of the complex dielectric function 2 (ω) is in good agreement with experimental data from ultraviolet spectroscopic ellipsometry measurements in bulk yttria-stabilized Hf O2 as well as with those performed in films deposited with the tetrakis diethylamido hafnium precursor for energies smaller than 9.5 eV.

Original languageEnglish (US)
Pages (from-to)5022-5024
Number of pages3
JournalApplied Physics Letters
Volume85
Issue number21
DOIs
StatePublished - Nov 2004

Bibliographical note

Funding Information:
The authors acknowledge the financial support received from FAPESP and the Brazilian National Research Council (CNPq) under contract NanoSemiMat/CNPq # 550.015/01-9. Dr. A. Donegan is thanked for a critical reading of the manuscript.

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