Nanoscale Science and Technology on Semiconductor Device Physics

A special issue of Nanomaterials (ISSN 2079-4991). This special issue belongs to the section "Nanoelectronics, Nanosensors and Devices".

Deadline for manuscript submissions: closed (31 May 2023) | Viewed by 1191

Special Issue Editors


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Guest Editor
CEA-DIF, Arpajon, France
Interests: atomic scale simulation of materials and studies of the impact of the point defects on materials properties, mainly related to microelectronic and optoelectronic technologies under radiation

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Guest Editor
Laboratory for Analysis and Architecture of Systems, UPR 8001, Toulouse, France
Interests: micro and nanoelectronics; nanoenergetic materials; metals; oxides; semiconductors; surfaces and interfaces; defects and diffusion multiscale modeling (TCAD) from atomic scale calculations to macroscopic simulations
Special Issues, Collections and Topics in MDPI journals

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Guest Editor
CNR-IOM (Italian National Research Council- Istituto Officina dei Materiali), Trieste, Italy
Interests: theoretical and computational methods for studying the electronic and optical properties of materials; semiconductors; oxides; glasses, surfaces, and defects

Special Issue Information

Dear Colleagues,

The constant downscaling of nanoelectronic technologies pushes the need for scientific advances in new knowledge on semiconductor-based devices, in order to design future devices, define the most appropriate and efficient process to generate the complex architectures of materials required, and ensure their expected properties and reliability. To do so, experimental and computational physicists must move forward together and at every scale of the component, from the properties of the materials composing it to the operation of complex components, in order to pave the way for new breakthroughs such as quantum-and-beyond CMOS technologies.

The present Special Issue of Nanomaterials aims to present the current state-of-the-art of semiconductor devices’ physics, from the atomic scale simulation and characterization of materials, interfaces, and defects, to the simulation and electrical characterization of new devices. Potential topics include, but are not limited to:

  • The advanced characterization and modeling of materials, nanostructuring, and the characterization of interfaces between semiconductors and oxides.
  • New materials, technologies, and device architectures
  • Processes for 3D integration.
  • Fundamental aspects of device modeling and simulation, including quantum transport, thermal transport, fluctuation, noise, and reliability.
  • Compact modeling for circuit simulation.

Process/device/circuit co-simulation in the context of system design and verification modeling and the simulation of all types of semiconductor devices and processes.

Dr. Nicolas Richard
Dr. Anne Hémeryck
Dr. Layla Martin-Samos
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Nanomaterials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2900 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • semiconductor
  • oxides
  • interfaces
  • device process
  • device simulation
  • transport simulations
  • reliability
  • nanoelectronics
  • atomistic simulations
  • quantum computing

Published Papers (2 papers)

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Research

13 pages, 5256 KiB  
Article
Over- and Undercoordinated Atoms as a Source of Electron and Hole Traps in Amorphous Silicon Nitride (a-Si3N4)
by Christoph Wilhelmer, Dominic Waldhoer, Lukas Cvitkovich, Diego Milardovich, Michael Waltl and Tibor Grasser
Nanomaterials 2023, 13(16), 2286; https://doi.org/10.3390/nano13162286 - 9 Aug 2023
Cited by 3 | Viewed by 1437
Abstract
Silicon nitride films are widely used as the charge storage layer of charge trap flash (CTF) devices due to their high charge trap densities. The nature of the charge trapping sites in these materials responsible for the memory effect in CTF devices is [...] Read more.
Silicon nitride films are widely used as the charge storage layer of charge trap flash (CTF) devices due to their high charge trap densities. The nature of the charge trapping sites in these materials responsible for the memory effect in CTF devices is still unclear. Most prominently, the Si dangling bond or K-center has been identified as an amphoteric trap center. Nevertheless, experiments have shown that these dangling bonds only make up a small portion of the total density of electrical active defects, motivating the search for other charge trapping sites. Here, we use a machine-learned force field to create model structures of amorphous Si3N4 by simulating a melt-and-quench procedure with a molecular dynamics algorithm. Subsequently, we employ density functional theory in conjunction with a hybrid functional to investigate the structural properties and electronic states of our model structures. We show that electrons and holes can localize near over- and under-coordinated atoms, thereby introducing defect states in the band gap after structural relaxation. We analyze these trapping sites within a nonradiative multi-phonon model by calculating relaxation energies and thermodynamic charge transition levels. The resulting defect parameters are used to model the potential energy curves of the defect systems in different charge states and to extract the classical energy barrier for charge transfer. The high energy barriers for charge emission compared to the vanishing barriers for charge capture at the defect sites show that intrinsic electron traps can contribute to the memory effect in charge trap flash devices. Full article
(This article belongs to the Special Issue Nanoscale Science and Technology on Semiconductor Device Physics)
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12 pages, 1751 KiB  
Article
Deep Levels and Electron Paramagnetic Resonance Parameters of Substitutional Nitrogen in Silicon from First Principles
by Chloé Simha, Gabriela Herrero-Saboya, Luigi Giacomazzi, Layla Martin-Samos, Anne Hemeryck and Nicolas Richard
Nanomaterials 2023, 13(14), 2123; https://doi.org/10.3390/nano13142123 - 21 Jul 2023
Cited by 2 | Viewed by 927
Abstract
Nitrogen is commonly implanted in silicon to suppress the diffusion of self-interstitials and the formation of voids through the creation of nitrogen–vacancy complexes and nitrogen–nitrogen pairs. Yet, identifying a specific N-related defect via spectroscopic means has proven to be non-trivial. Activation energies obtained [...] Read more.
Nitrogen is commonly implanted in silicon to suppress the diffusion of self-interstitials and the formation of voids through the creation of nitrogen–vacancy complexes and nitrogen–nitrogen pairs. Yet, identifying a specific N-related defect via spectroscopic means has proven to be non-trivial. Activation energies obtained from deep-level transient spectroscopy are often assigned to a subset of possible defects that include non-equivalent atomic structures, such as the substitutional nitrogen and the nitrogen–vacancy complex. Paramagnetic N-related defects were the object of several electron paramagnetic spectroscopy investigations which assigned the so-called SL5 signal to the presence of substitutional nitrogen (NSi). Nevertheless, its behaviour at finite temperatures has been imprecisely linked to the metastability of the NSi center. In this work, we build upon the robust identification of the SL5 signature and we establish a theoretical picture of the substitutional nitrogen. Through an understanding of its symmetry-breaking mechanism, we provide a model of its fundamental physical properties (e.g., its energy landscape) based on ab initio calculations. Moreover by including more refined density functional theory-based approaches, we calculate EPR parameters (g and A tensors), elucidating the debate on the metastability of NSi. Finally, by computing thermodynamic charge transition levels within the GW method, we present reference values for the donor and acceptor levels of NSi. Full article
(This article belongs to the Special Issue Nanoscale Science and Technology on Semiconductor Device Physics)
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