Electronic Structure of Oxygen Deficient Noncentrosymmetric Orthorhombic Hf0.5Zr0.5O2 Full article
Conference |
230th ECS Meeting Symposium on Semiconductors, Dielectrics, and Metals for Nanoelectronics 14 02-07 Oct 2016 , Honolulu |
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Journal |
ECS Transactions
ISSN: 1938-5862 , E-ISSN: 1938-6737 |
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Output data | Year: 2016, Volume: 75, Number: 5, Pages: 227-233 Pages count : 7 DOI: 10.1149/07505.0227ecst | ||||||
Tags | Carrier mobility; Density functional theory; Electronic structure; Energy gap; Etching; Hafnium compounds; Ionization; Nanoelectronics; Quantum chemistry; X ray photoelectron spectroscopy; Zirconium compounds | ||||||
Authors |
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Affiliations |
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Funding (1)
1 | Russian Science Foundation | 14-19-00192 |
Abstract:
The electronic structure of oxygen vacancies in noncentrosymmetric orthorhombic Hf0.5Zr0.5O2 was investigated
with quantum chemical density functional theory simulations. The oxygen vacancies with different coordination in five charged states were investigated. The single electron levels of charged states is located in the band gap, as well as the values of trap thermal and optical ionization energies, indicate that any type of oxygen vacancies can capture both electrons and holes, i.e. they can act as an amphoteric localization center (trap) for charge carriers. The
vacancy levels position in the band gap for an added electron is in excellent agreement with the experimental trap thermal ionization energy 1.25 eV for the amorphous Hf0.5Zr0.5O2 film. X-ray photoelectron spectroscopy revealed that high oxygen vacancies concentration generation by the Ar+ etching method is not appropriate for o-Hf0.5Zr0.5O2.
Cite:
Perevalov T.V.
, Islamov D.R.
, Gritsenko V.A.
, Saraev A.A.
Electronic Structure of Oxygen Deficient Noncentrosymmetric Orthorhombic Hf0.5Zr0.5O2
ECS Transactions. 2016. V.75. N5. P.227-233. DOI: 10.1149/07505.0227ecst WOS Scopus РИНЦ
Electronic Structure of Oxygen Deficient Noncentrosymmetric Orthorhombic Hf0.5Zr0.5O2
ECS Transactions. 2016. V.75. N5. P.227-233. DOI: 10.1149/07505.0227ecst WOS Scopus РИНЦ
Dates:
Published print: | Sep 23, 2016 |
Published online: | Sep 23, 2016 |
Identifiers:
Web of science | WOS:000406505700026 |
Scopus | 2-s2.0-84991490611 |
Elibrary | 27582754 |
Chemical Abstracts | 2018:147464 |
OpenAlex | W2508957248 |