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We present first-principles calculations of the structural and electronic properties of Si(001)-SiO2 interfaces. We first arrive at reasonable structures for the c-Si/a-SiO2 interface via a Monte-Carlo simulated annealing applied to an…

Materials Science · Physics 2009-10-31 Kwok-On Ng , David Vanderbilt

Leakage currents through insulators received continuous attention for decades, owing to their importance for a wide range of technologies, and interest in their fundamental mechanisms. This work investigates the leakage currents through…

Applied Physics · Physics 2020-01-08 Dror Miron , Igor Krylov , Maria Baskin , Eilam Yalon , Lior Kornblum

The dielectric breakdown at metal-oxide interfaces is a critical electronic device failure mechanism. Electronic tunneling through dielectric layers is a well-accepted explanation for this phenomenon. Theoretical band alignment studies,…

Materials Science · Physics 2016-10-28 Eric Tea , Jianqiu Huang , Celine Hin

A number of electronic devices involve metal/oxide interfaces in their structure where the oxide layer plays the role of electrical insulator. As the downscaling of devices continues, the oxide thickness can spread over only a few atomic…

Materials Science · Physics 2017-04-26 Eric Tea , Jianqiu Huang , Guanchen Li , Celine Hin

We investigate the effect of SiC stacking on the 4H-SiC/SiO$_2$ interface, both in the presence and absence of O defects, which appear during thermal oxidation, via first principles calculations. It is known that 4H-SiC(0001) has two…

Materials Science · Physics 2015-08-10 Christopher James Kirkham , Tomoya Ono

We present the evidence of the low defect density at Ge/GeO$_2$ interfaces in terms of first-principles total energy calculations. The energy advantages of the atom emission from the Ge/GeO$_2$ interface to release the stress due to the…

Materials Science · Physics 2015-05-13 Shoichiro Saito , Takuji Hosoi , Heiji Watanabe , Tomoya Ono

We report the density-functional calculations that systematically clarify the stable forms of carbon-related defects and their energy levels in amorphous SiO$_2$ using the melt-quench technique in molecular dynamics. Considering the…

Materials Science · Physics 2018-12-03 Yu-ichiro Matsushita , Atsushi Oshiyama

We report that annealing in low-oxygen-partial-pressure (low-p$_{\rm O2}$) ambient is effective in reducing the interface state density (D$_{\rm IT}$) at a SiC (0001)/SiO$_{\rm 2}$ interface near the conduction band edge (E$_{\rm C}$) of…

Materials Science · Physics 2019-02-19 Takuma Kobayashi , Keita Tachiki , Koji Ito , Tsunenobu Kimoto

Silicon has long been synonymous with semiconductor technology. This unique role is due largely to the remarkable properties of the Si-SiO_2 interface, especially the (001)-oriented interface used in most devices. Although Si is crystalline…

Materials Science · Physics 2009-10-31 Yuhai Tu , J. Tersoff

Silicon carbide (SiC) metal-oxide-semiconductor field-effect-transistors (MOSFETs) enable high-voltage and high-temperature power conversion. Compared to Si devices, they suffer from pronounced gate leakage due to the reduced electron…

Materials Science · Physics 2025-12-03 Ang Feng , Alexander Karl , Dominic Waldhör , Marina Avramenko , Peter Moens , Tibor Grasser

The increase of the leakage current of NMOS transistors during exposure to ionizing radiation is known and well studied. Radiation hardness by design techniques have been developed to mitigate this effect and have been successfully used.…

Instrumentation and Detectors · Physics 2017-02-01 Malte Backhaus

In this contribution we argue that the main discrepancies between model calculations and experimental data for leakage current after hadron irradiation could be explained considering the contributions of primary defects in silicon: vacancy,…

High Energy Physics - Phenomenology · Physics 2007-05-23 S. Lazanu , I. Lazanu

We propose the atomic structures of the 4H-SiC/SiO$_2$ interface for the $a$, $m$, C, and Si faces after NO annealing. Our proposed structures preferentially form at the topmost layers of the SiC side of the interface, which agrees with the…

Materials Science · Physics 2024-01-09 Naoki Komatsu , Mizuho Ohmoto , Mitsuharu Uemoto , Tomoya Ono

The structural, electronic and optical properties of Si nanocrystals of different size and shape, passivated with hydrogens, OH groups, or embedded in a SiO2 matrix are studied. The comparison between the embedded and free, suspended…

Materials Science · Physics 2010-09-01 Roberto Guerra , Elena Degoli , Stefano Ossicini

The observation of metallic behavior at the interface between insulating oxides has triggered worldwide efforts to shed light on the physics of these systems and clarify some still open issues, among which the dimensional character of the…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 I. Pallecchi , M. Codda , E. Galleani d'Agliano , D. Marre' , A. D. Caviglia , N. Reyren , S. Gariglio , J. -M. Triscone

In this paper, SiO2 layers deposited on 4H-SiC and subjected to different post deposition annealing (PDA) in NO and N2O were studied to identify the key factors influencing the channel mobility and threshold voltage stability in 4H-SiC…

We report first-principles calculations that reveal the atomic forms, stability, and energy levels of carbon-related defects in SiC (0001)/SiO$_{\rm 2}$ systems. We clarify the stable position (SiC side, SiO$_{\rm 2}$ side, or just at the…

Materials Science · Physics 2019-10-15 Takuma Kobayashi , Yu-ichiro Matsushita

Strain is commonly used in metal-oxide-semiconductor technologies to boost on-state performance. This booster has been in production for at least a decade. Despite this, a systematic study of the impact of strain on off-state leakage…

Mesoscale and Nanoscale Physics · Physics 2025-02-03 Felipe Murphy-Armando , Chang Liu , Yi Zhao , Ray Duffy

Evidence of the absence of the clear electron spin-resonance signal from Ge dangling bonds (DBs) at Ge/GeO$_2$ interfaces is explored by means of first-principles electronic-structure calculations. Comparing the electronic structures of the…

Materials Science · Physics 2010-09-07 Tomoya Ono , Shoichiro Saito

The paper reviews methods used to study the electronic and structural properties of silicon/insulator interfaces. Methodological approaches to study the interface states and charge trapping in the oxide are considered. An overview of…

Materials Science · Physics 2017-09-07 Y. G. Fedorenko
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