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Materials
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Nanodevices in 2D Materials: Theory and Simulations
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Nanodevices in 2D Materials: Theory and Simulations

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Advanced Nanomaterials and Nanotechnology".

Deadline for manuscript submissions: closed (20 April 2024) | Viewed by 2500

Special Issue Editor

Dr. Adam Rycerz

E-Mail Website
Guest Editor
Department of Condensed Matter Theory and Nanophysics, Jagiellonian University, Kraków, Poland
Interests: graphene; silicene; transition metal dichalcogenides; 2D materials; quantum transport

Special Issue Information

Dear Colleagues,

Shortly after the discovery of free-standing graphene, two-dimensional (2D) semiconductors such as silicene and transition metal dichalcogenides were also fabricated and investigated. Novel devices using these materials, having no analogues in silicon-based electronics, may operate either by tuning the electronic structure via external electromagnetic fields (or mechanical strains) or by addressing valley degrees of freedom in ab attempt to use this pseudospin as the information carrier.

This Special Issue aims to present a collection of theoretical research articles, covering different aspects electronics, spintronics, and valleytronics in selected 2D nanostructures, from analyzing the physical principles to computer simulations of nanodevices in realistic situations.

We hope this set of theoretical results will stimulate fruitful experimental attempts to engineer nanodevices for practical purposes.

Dr. Adam Rycerz
Guest Editor

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. Materials 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 2600 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

  • graphene
  • silicene
  • transition metal dichalcogenides
  • 2D materials
  • spintronics
  • valleytronics
  • nanoribbons
  • quantum transport
  • Landauer–Buttiker formalism

Published Papers (4 papers)

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Research

21 pages, 3952 KiB  
Article
Sub-Sharvin Conductance and Incoherent Shot-Noise in Graphene Disks at Magnetic Field
by Adam Rycerz, Katarzyna Rycerz and Piotr Witkowski
Materials 2024, 17(13), 3067; https://doi.org/10.3390/ma17133067 - 21 Jun 2024
Viewed by 338
Abstract
Highly doped graphene samples show reduced conductance and enhanced shot-noise power compared with standard ballistic systems in two-dimensional electron gas. These features can be understood within a model that assumes incoherent scattering of Dirac electrons between two interfaces separating the sample and the [...] Read more.
Highly doped graphene samples show reduced conductance and enhanced shot-noise power compared with standard ballistic systems in two-dimensional electron gas. These features can be understood within a model that assumes incoherent scattering of Dirac electrons between two interfaces separating the sample and the leads. Here we find, by adopting the above model for the edge-free (Corbino) geometry and by computer simulation of quantum transport, that another graphene-specific feature should be observable when the current flow through a doped disk is blocked by a strong magnetic field. When the conductance drops to zero, the Fano factor approaches the value of F≈0.56, with a very weak dependence on the ratio of the disk radii. The role of finite source-drain voltages and the system behavior when the electrostatic potential barrier is tuned from a rectangular to a parabolic shape are also discussed. Full article
(This article belongs to the Special Issue Nanodevices in 2D Materials: Theory and Simulations)
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16 pages, 2291 KiB  
Article
Preparation and Modeling of Graphene Bubbles to Obtain Strain-Induced Pseudomagnetic Fields
by Chuanli Yu, Jiacong Cao, Shuze Zhu and Zhaohe Dai
Materials 2024, 17(12), 2889; https://doi.org/10.3390/ma17122889 - 13 Jun 2024
Viewed by 435
Abstract
It has been both theoretically predicted and experimentally demonstrated that strain can effectively modulate the electronic states of graphene sheets through the creation of a pseudomagnetic field (PMF). Pressurizing graphene sheets into bubble-like structures has been considered a viable approach for the strain [...] Read more.
It has been both theoretically predicted and experimentally demonstrated that strain can effectively modulate the electronic states of graphene sheets through the creation of a pseudomagnetic field (PMF). Pressurizing graphene sheets into bubble-like structures has been considered a viable approach for the strain engineering of PMFs. However, the bubbling technique currently faces limitations such as long manufacturing time, low durability, and challenges in precise control over the size and shape of the pressurized bubble. Here, we propose a rapid bubbling method based on an oxygen plasma chemical reaction to achieve rapid induction of out-of-plane deflections and in-plane strains in graphene sheets. We introduce a numerical scheme capable of accurately resolving the strain field and resulting PMFs within the pressurized graphene bubbles, even in cases where the bubble shape deviates from perfect spherical symmetry. The results provide not only insights into the strain engineering of PMFs in graphene but also a platform that may facilitate the exploration of the strain-mediated electronic behaviors of a variety of other 2D materials. Full article
(This article belongs to the Special Issue Nanodevices in 2D Materials: Theory and Simulations)
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13 pages, 625 KiB  
Article
Impact of Surface States in Graphene/p-Si Schottky Diodes
by Piera Maccagnani and Marco Pieruccini
Materials 2024, 17(9), 1997; https://doi.org/10.3390/ma17091997 - 25 Apr 2024
Viewed by 485
Abstract
Graphene–silicon Schottky diodes are intriguing devices that straddle the border between classical models and two-dimensional ones. Many papers have been published in recent years studying their operation based on the classical model developed for metal–silicon Schottky diodes. However, the results obtained for diode [...] Read more.
Graphene–silicon Schottky diodes are intriguing devices that straddle the border between classical models and two-dimensional ones. Many papers have been published in recent years studying their operation based on the classical model developed for metal–silicon Schottky diodes. However, the results obtained for diode parameters vary widely in some cases showing very large deviations with respect to the expected range. This indicates that our understanding of their operation remains incomplete. When modeling these devices, certain aspects strictly connected with the quantum mechanical features of both graphene and the interface with silicon play a crucial role and must be considered. In particular, the dependence of the graphene Fermi level on carrier density, the relation of the latter with the density of surface states in silicon and the coupling between in-plane and out-of-plane dynamics in graphene are key aspects for the interpretation of their behavior. Within the thermionic regime, we estimate the zero-bias Schottky barrier height and the density of silicon surface states in graphene/type-p silicon diodes by adapting a kown model and extracting ideality index values close to unity. The ohmic regime, beyond the flat band potential, is modeled with an empirical law, and the current density appears to be roughly proportional to the electric field at the silicon interface; moreover, the graphene-to-silicon electron tunneling efficiency drops significantly in the transition from the thermionic to ohmic regime. We attribute these facts to (donor) silicon surface states, which tend to be empty in the ohmic regime. Full article
(This article belongs to the Special Issue Nanodevices in 2D Materials: Theory and Simulations)
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8 pages, 3455 KiB  
Article
Metal–Semiconductor Behavior along the Line of Stacking Order Change in Gated Multilayer Graphene
by Włodzimierz Jaskólski
Materials 2024, 17(8), 1915; https://doi.org/10.3390/ma17081915 - 21 Apr 2024
Viewed by 782
Abstract
We investigated gated multilayer graphene with stacking order changes along the armchair direction. We consider that some layers cracked to release shear strain at the stacking domain wall. The energy cones of graphene overlap along the corresponding direction in the k-space, so [...] Read more.
We investigated gated multilayer graphene with stacking order changes along the armchair direction. We consider that some layers cracked to release shear strain at the stacking domain wall. The energy cones of graphene overlap along the corresponding direction in the k-space, so the topological gapless states from different valleys also overlap. However, these states strongly interact and split due to atomic-scale defects caused by the broken layers, yielding an effective energy gap. We find that for some gate voltages, the gap states cross and the metallic behavior along the stacking domain wall can be restored. In particular cases, a flat band appears at the Fermi energy. We show that for small variations in the gate voltage, the charge occupying this band oscillates between the outer layers. Full article
(This article belongs to the Special Issue Nanodevices in 2D Materials: Theory and Simulations)
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