Journal ArticleDOI
Point defects in HfO2 high K gate oxide
Ka Xiong,John Robertson +1 more
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TLDR
In this article, the energy levels of the oxygen vacancy and oxygen interstitial defects in HfO2 using methods not needing a band gap correction were calculated. But they did not consider the effect of band offsets.About:
This article is published in Microelectronic Engineering.The article was published on 2005-06-01. It has received 92 citations till now. The article focuses on the topics: Band gap & Vacancy defect.read more
Citations
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High dielectric constant gate oxides for metal oxide Si transistors
TL;DR: In this article, a review of the development of high-k gate oxides such as hafnium oxide (HFO) and high-K oxides is presented, with the focus on the work function control in metal gate electrodes.
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On the Switching Parameter Variation of Metal-Oxide RRAM—Part I: Physical Modeling and Simulation Methodology
TL;DR: In this article, a physics-based simulator was used to simulate a large number of cyclic SET-RESET operations and it was found that the random current fluctuation experimentally observed in the RESET processes is caused by the competition between trap generation and recombination, whereas the variation of the high resistance states and the tail bits are directly correlated to the randomness of the trap dynamics.
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Negative oxygen vacancies in HfO2 as charge traps in high-k stacks
TL;DR: In this article, the optical excitation and thermal ionization energies of oxygen vacancies in m-HfO2 were calculated using a non-local density functional theory with atomic basis sets and periodic supercell.
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Advanced high-κ dielectric stacks with polySi and metal gates: recent progress and current challenges
TL;DR: The paper addresses stacks of doped polySi gate electrodes on ultrathin layers of high-κ dielectrics, dual-workfunction metal-gate technology, and fully silicided gates in mainstream Si CMOS technology.
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Spectroscopic properties of oxygen vacancies in monoclinic Hf O 2 calculated with periodic and embedded cluster density functional theory
TL;DR: In this paper, the electronic structure and spectroscopic properties of the oxygen vacancy in different charge states in the monoclinic phase of the material were calculated using density functional theory and a hybrid density functional.
References
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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism.
TL;DR: Novel features are that the pseudopotential itself becomes charge-state dependent, the usual norm-conservation constraint does not apply, and a generalized eigenproblem is introduced.
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Band offsets of wide-band-gap oxides and implications for future electronic devices
TL;DR: In this paper, the Schottky barrier heights and band offsets for high dielectric constant oxides on Pt and Si were calculated and good agreement with experiment is found for barrier heights.
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Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane-wave study
Victor Milman,Björn Winkler,J. A. White,Chris J. Pickard,Mike C. Payne,Elena Akhmatskaya,R. H. Nobes +6 more
TL;DR: In this article, the authors provide an overview of plane-wave pseudopotential density functional theory (DFT) methods applicable to studies of large periodic systems and present a number of algorithmic implementations, including ultrasoft pseudopotentials, efficient iterative schemes for solving the one-electron DFT equations, and computationally efficient codes for massively parallel computers.
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Model for the Electronic Structure of Amorphous Semiconductors
TL;DR: In this article, it was pointed out that a model which agrees well with the observed properties of semiconducting glasses is an attractive Hubbard model of localized states, and it was also proposed that the one-electron excitation spectrum is wholly, or almost wholly, extended, and all observed gaps are identical with the mobility gap.
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Generalized Kohn-Sham schemes and the band-gap problem
TL;DR: The corresponding generalized Kohn-Sham eigenvalue gaps are shown to incorporate part of the discontinuity D xc of the exchange-correlation potential of standard KohnSham theory, leading to band gaps far better than those of local-density approximation.