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Keywords = magic-angle twisted bilayer graphene

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13 pages, 1309 KiB  
Article
Thermal Conductivity of Graphene Moiré Superlattices at Small Twist Angles: An Approach-to-Equilibrium Molecular Dynamics and Boltzmann Transport Study
by Lorenzo Manunza, Riccardo Dettori, Antonio Cappai and Claudio Melis
C 2025, 11(3), 46; https://doi.org/10.3390/c11030046 - 30 Jun 2025
Viewed by 919
Abstract
We investigate the thermal conductivity of graphene Moiré superlattices formed by twisting bilayer graphene (TBG) at small angles, employing approach-to-equilibrium molecular dynamics and lattice dynamics calculations based on the Boltzmann Transport Equation. Our simulations reveal a non-monotonic dependence of the thermal conductivity on [...] Read more.
We investigate the thermal conductivity of graphene Moiré superlattices formed by twisting bilayer graphene (TBG) at small angles, employing approach-to-equilibrium molecular dynamics and lattice dynamics calculations based on the Boltzmann Transport Equation. Our simulations reveal a non-monotonic dependence of the thermal conductivity on the twisting angle, with a local minimum near the first magic angle (θ1.1°). This behavior is attributed to the evolution of local stacking configurations—AA, AB, and saddle-point (SP)—across the Moiré superlattice, which strongly affect phonon transport. A detailed analysis of phonon mean free paths (MFP) and mode-resolved thermal conductivity shows that AA stacking suppresses thermal transport, while AB and SP stackings exhibit enhanced conductivity owing to more efficient low-frequency phonon transport. Furthermore, we establish a direct correlation between the thermal conductivity of twisted structures and the relative abundance of stacking domains within the Moiré supercell. Our results demonstrate that even very small changes in twisting angle (<2°) can lead to thermal conductivity variations of over 30%, emphasizing the high tunability of thermal transport in TBG. Full article
(This article belongs to the Special Issue 10th Anniversary of C — Journal of Carbon Research)
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8 pages, 4688 KiB  
Article
Grain Boundary Guided Folding of Graphene for Twisted Bilayer Graphene
by Feiru Feng, Kun Zhou, Kang Zhang, Liya Wang, Ruijie Wang, Jun Xia and Chun Tang
Nanomaterials 2025, 15(7), 482; https://doi.org/10.3390/nano15070482 - 24 Mar 2025
Cited by 1 | Viewed by 513
Abstract
Bilayer graphene exhibits intriguing physical and mechanical properties that are suitable for advanced electronic device applications. By introducing a new degree of freedom through interlayer twisting, exotic phenomena such as superconductivity can arise. However, in practical experiments, manual manipulation is often required to [...] Read more.
Bilayer graphene exhibits intriguing physical and mechanical properties that are suitable for advanced electronic device applications. By introducing a new degree of freedom through interlayer twisting, exotic phenomena such as superconductivity can arise. However, in practical experiments, manual manipulation is often required to fabricate such a configuration and therefore, scaled production of magic angle bilayer graphene is challenging. In this work, we propose utilizing the grain boundaries and accompanying localized out-of-plane deformation in graphene to facilitate twisted bi-layer graphene formation. Based on molecular dynamics simulations, the structure folding process along the boundary line is examined where a lower energetic cost is found. Once stabilized, the folded bilayer structure shows twist angles that differ visibly from the conventional AA or AB stacking modes and can achieve twist angles close to the 1.1° magic angle. This observation suggests a potential novel strategy for synthesizing stable twisted bilayer graphene or other two dimensional van der Waals heterostructures with greater efficiency. Full article
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14 pages, 1515 KiB  
Article
Quantifying Nonadiabaticity in Major Families of Superconductors
by Evgueni F. Talantsev
Nanomaterials 2023, 13(1), 71; https://doi.org/10.3390/nano13010071 - 23 Dec 2022
Cited by 9 | Viewed by 2433
Abstract
The classical Bardeen–Cooper–Schrieffer and Eliashberg theories of the electron–phonon-mediated superconductivity are based on the Migdal theorem, which is an assumption that the energy of charge carriers, kBTF, significantly exceeds the phononic energy, ωD, of the crystalline [...] Read more.
The classical Bardeen–Cooper–Schrieffer and Eliashberg theories of the electron–phonon-mediated superconductivity are based on the Migdal theorem, which is an assumption that the energy of charge carriers, kBTF, significantly exceeds the phononic energy, ωD, of the crystalline lattice. This assumption, which is also known as adiabatic approximation, implies that the superconductor exhibits fast charge carriers and slow phonons. This picture is valid for pure metals and metallic alloys because these superconductors exhibit ωDkBTF<0.01. However, for n-type-doped semiconducting SrTiO3, this adiabatic approximation is not valid, because this material exhibits ωDkBTF50. There is a growing number of newly discovered superconductors which are also beyond the adiabatic approximation. Here, leaving aside pure theoretical aspects of nonadiabatic superconductors, we classified major classes of superconductors (including, elements, A-15 and Heusler alloys, Laves phases, intermetallics, noncentrosymmetric compounds, cuprates, pnictides, highly-compressed hydrides, and two-dimensional superconductors) by the strength of nonadiabaticity (which we defined by the ratio of the Debye temperature to the Fermi temperature, TθTF). We found that the majority of analyzed superconductors fall into the 0.025TθTF0.4 band. Based on the analysis, we proposed the classification scheme for the strength of nonadiabatic effects in superconductors and discussed how this classification is linked with other known empirical taxonomies in superconductivity. Full article
(This article belongs to the Special Issue Superconducting Nanostructures and Materials)
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10 pages, 2450 KiB  
Article
One Dimensional Twisted Van der Waals Structures Constructed by Self-Assembling Graphene Nanoribbons on Carbon Nanotubes
by Kun Zhou, Liya Wang, Ruijie Wang, Chengyuan Wang and Chun Tang
Materials 2022, 15(22), 8220; https://doi.org/10.3390/ma15228220 - 18 Nov 2022
Cited by 6 | Viewed by 2757
Abstract
Twisted van der Waals heterostructures were recently found to possess unique physical properties, such as superconductivity in magic angle bilayer graphene. Owing to the nonhomogeneous stacking, the energy of twisted van der Waals heterostructures are often higher than their AA or AB stacking [...] Read more.
Twisted van der Waals heterostructures were recently found to possess unique physical properties, such as superconductivity in magic angle bilayer graphene. Owing to the nonhomogeneous stacking, the energy of twisted van der Waals heterostructures are often higher than their AA or AB stacking counterpart, therefore, fabricating such structures remains a great challenge in experiments. On the other hand, one dimensional (1D) coaxial van der Waals structures has less freedom to undergo phase transition, thus offer opportunity for fabricating the 1D cousin of twisted bilayer graphene. In this work, we show by molecular dynamic simulations that graphene nanoribbons can self-assemble onto the surface of carbon nanotubes driven by van der Waals interactions. By modifying the size of the carbon nanotubes or graphene nanoribbons, the resultant configurations can be controlled. Of particular interest is the formation of twisted double walled carbon nanotubes whose chiral angle difference can be tuned, including the 1.1° magic angle. Upon the longitudinal unzipping of such structures, twisted bilayer graphene nanoribbons can be obtained. As the longitudinal unzipping of carbon nanotubes is a mature technique, we expect the strategy proposed in this study to stimulate experimental efforts and promote the fast growing research in twistronics. Full article
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18 pages, 4808 KiB  
Perspective
Are Heavy Fermion Strange Metals Planckian?
by Mathieu Taupin and Silke Paschen
Crystals 2022, 12(2), 251; https://doi.org/10.3390/cryst12020251 - 12 Feb 2022
Cited by 21 | Viewed by 6261
Abstract
Strange metal behavior refers to a linear temperature dependence of the electrical resistivity that is not due to electron–phonon scattering. It is seen in numerous strongly correlated electron systems, from the heavy fermion compounds, via transition metal oxides and iron pnictides, to magic [...] Read more.
Strange metal behavior refers to a linear temperature dependence of the electrical resistivity that is not due to electron–phonon scattering. It is seen in numerous strongly correlated electron systems, from the heavy fermion compounds, via transition metal oxides and iron pnictides, to magic angle twisted bi-layer graphene, frequently in connection with unconventional or “high temperature” superconductivity. To achieve a unified understanding of these phenomena across the different materials classes is a central open problem in condensed matter physics. Tests whether the linear-in-temperature law might be dictated by Planckian dissipation—scattering with the rate kBT/—are receiving considerable attention. Here we assess the situation for strange metal heavy fermion compounds. They allow to probe the regime of extreme correlation strength, with effective mass or Fermi velocity renormalizations in excess of three orders of magnitude. Adopting the same procedure as done in previous studies, i.e., assuming a simple Drude conductivity with the above scattering rate, we find that for these strongly renormalized quasiparticles, scattering is much weaker than Planckian, implying that the linear temperature dependence should be due to other effects. We discuss implications of this finding and point to directions for further work. Full article
(This article belongs to the Special Issue New Spin on Metal-Insulator Transitions)
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15 pages, 2050 KiB  
Article
Quantifying the Charge Carrier Interaction in Metallic Twisted Bilayer Graphene Superlattices
by Evgueni F. Talantsev
Nanomaterials 2021, 11(5), 1306; https://doi.org/10.3390/nano11051306 - 15 May 2021
Cited by 9 | Viewed by 2885
Abstract
The mechanism of charge carrier interaction in twisted bilayer graphene (TBG) remains an unresolved problem, where some researchers proposed the dominance of the electron–phonon interaction, while the others showed evidence for electron–electron or electron–magnon interactions. Here we propose to resolve this problem by [...] Read more.
The mechanism of charge carrier interaction in twisted bilayer graphene (TBG) remains an unresolved problem, where some researchers proposed the dominance of the electron–phonon interaction, while the others showed evidence for electron–electron or electron–magnon interactions. Here we propose to resolve this problem by generalizing the Bloch–Grüneisen equation and using it for the analysis of the temperature dependent resistivity in TBG. It is a well-established theoretical result that the Bloch–Grüneisen equation power-law exponent, p, exhibits exact integer values for certain mechanisms. For instance, p = 5 implies the electron–phonon interaction, p = 3 is associated with the electron–magnon interaction and p = 2 applies to the electron–electron interaction. Here we interpret the linear temperature-dependent resistance, widely observed in TBG, as p1, which implies the quasielastic charge interaction with acoustic phonons. Thus, we fitted TBG resistance curves to the Bloch–Grüneisen equation, where we propose that p is a free-fitting parameter. We found that TBGs have a smoothly varied p-value (ranging from 1.4 to 4.4) depending on the Moiré superlattice constant, λ, or the charge carrier concentration, n. This implies that different mechanisms of the charge carrier interaction in TBG superlattices smoothly transition from one mechanism to another depending on, at least, λ and n. The proposed generalized Bloch–Grüneisen equation is applicable to a wide range of disciplines, including superconductivity and geology. Full article
(This article belongs to the Special Issue Superconductivity in Nanoscaled Systems)
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19 pages, 4138 KiB  
Review
Twistronics in Graphene, from Transfer Assembly to Epitaxy
by Di Wu, Yi Pan and Tai Min
Appl. Sci. 2020, 10(14), 4690; https://doi.org/10.3390/app10144690 - 8 Jul 2020
Cited by 9 | Viewed by 6223
Abstract
The twistronics, which is arising from the moiré superlattice of the small angle between twisted bilayers of 2D materials like graphene, has attracted much attention in the field of 2D materials and condensed matter physics. The novel physical properties in such systems, like [...] Read more.
The twistronics, which is arising from the moiré superlattice of the small angle between twisted bilayers of 2D materials like graphene, has attracted much attention in the field of 2D materials and condensed matter physics. The novel physical properties in such systems, like unconventional superconductivity, come from the dispersionless flat band that appears when the twist reaches some magic angles. By tuning the filling of the fourfold degeneracy flat bands, the desired effects are induced due to the strong correlation of the degenerated Bloch electrons. In this article, we review the twistronics in twisted bi- and multi-layer graphene (TBG and TMG), which is formed both by transfer assembly of exfoliated monolayer graphene and epitaxial growth of multilayer graphene on SiC substrates. Starting from a brief history, we then introduce the theory of flat band in TBG. In the following, we focus on the major achievements in this field: (a) van Hove singularities and charge order; (b) superconductivity and Mott insulator in TBG and (c) transport properties in TBG. In the end, we give the perspective of the rising materials system of twistronics, epitaxial multilayer graphene on the SiC. Full article
(This article belongs to the Special Issue Fundamentals and Recent Advances in Epitaxial Graphene on SiC)
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