A Simplified Approach to the Problems of Room-Temperature Superconductivity

Prazdnikov, Yuri Evgenevich

doi:10.4236/jmp.2015.64043

Cited by 6 publications

(4 citation statements)

References 13 publications

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“…One of possible approaches [34] to obtain the superconductor properties proposed for carbyne by Yu. Prazdnikov [35] is to induce a giant spin-orbit interaction thanks to the specific arrangement of the Figure 7. The band gap of finite carbon chains in dependence on the inverse number of atoms by first principle calculations ( [9]: orange crosses), predicted [26] for carbyne (green cross), measured in gas phase (solid circles) [27] or for chains dissolved in a solvent (solid triangles and solid stars represent LCCs terminated by different chemical ending groups) [28,29] by absorption spectroscopy, and LCCs inside single (open squares [30,31])/double wall nanotubes ( [9]: the light blue shaded area) by resonance Raman spectroscopy.…”

Section: Electronic Properties Raman Response and Superconductivitymentioning

confidence: 99%

“…One of possible approaches [34] to obtain the superconductor properties proposed for carbyne by Yu. Prazdnikov [35] C 2019, 5, 56 8 of 11 is to induce a giant spin-orbit interaction thanks to the specific arrangement of the carbyne crystal. The maximal value of spin-orbit coupling was predicted for low-dimensional systems.…”

Section: Electronic Properties Raman Response and Superconductivitymentioning

confidence: 99%

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Structure and Properties of Chained Carbon: Recent Ab Initio Studies

Бунтов

Zatsepin

Kitayeva

et al. 2019

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Carbon chains or carbyne-like structures represent the next generation of 1D materials whose properties can be tuned by the chain length, doping, and the type of termination. Currently inaccessible technology of the macroscopic carbyne synthesis and characterization makes theoretical work especially valuable. The state of the art methods being applied in the field are density functional theory and molecular dynamics. This paper provides a review of the current state of research on modeling linear carbon structures and related materials. We show that even though the “static” properties of carbon chains (mechanical strength, thermal conduction, band gaps, and phonon spectra) are extensively described, there are only a few simulations of the synthesis processes that constitute the next challenge in 1D research.

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Section: Electronic Properties Raman Response and Superconductivitymentioning

confidence: 99%

Section: Electronic Properties Raman Response and Superconductivitymentioning

confidence: 99%

Structure and Properties of Chained Carbon: Recent Ab Initio Studies

Бунтов

Zatsepin

Kitayeva

et al. 2019

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“…Particular interest represents the study of oriented carbyne, which is an ensemble of short carbon chains perpendicular to the substrate surface to which they are attached with their hydrogen ends [4][5][6][7]. In particular, it is argued in [7] that this material can be a topological insulator with two-dimensional superconductivity.…”

Section: Monoatomic Carbon Chains and Their Propertiesmentioning

confidence: 99%

New static structures in the strained carbon and boron chains

Chechin,

Lapina

2019

Preprint

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We discuss bi-structures with one or two long bonds in the central part of the strained monoatomic chains appearing abruptly as a result of hard bifurcations of the static form with increasing strain above some critical value. Structures of this type were initially revealed in the model of the monoatomic chains with the Lennard-Jones interactions (L-J model). There are well-defined arguments in favor of the fact that the above bistructures are universal in the sense that they can exist in the finite strained chains of any physical nature. We tested this hypothesis on the strained chains of carbon and boron atoms with the aid of the density functional theory (DFT), using results obtained in the simulation of the L-J model as initial approximation. The properties of these bi-structures, depending on the length of the chains, are investigated in detail. It is assumed that the abrupt change in the electrical properties of strained carbon and boron chains in the vicinity of the bifurcations can be used to create nanodevices within the framework of straintronics.

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“…Particular interest represents the studying of oriented carbyne, which is an ensemble of short carbon chains perpendicular to the substrate surface to which they are attached with their hydrogen ends [13,14,15]. It is argued in [15] that this material can be a topological insulator with two-dimensional superconductivity.…”

Section: Introductionmentioning

confidence: 99%

Static structures of strained carbon chains: DFT-modeling vs classical modeling of the chain with Lennard-Jones potential

Chechin

Lapina

2019

Lett. Mater.

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We proved earlier that in the strained monoatomic chains with Lennard-Jones potential there can exist an equilibrium static bi-structure, which corresponds to N -1 equal short interatomic bonds and one long bond with inversion in its center (N is the number of atoms of the chain). In the present work, we investigate with the aid of the density functional theory (DFT modeling) similar structures that can exist in the strained carbon chains. In contrast to the Lennard-Jones model, the bi-structures in this case are inhomogeneous (they have short bonds of different lengths) and appear abruptly when the strain exceeds a certain critical value ηc as a result of a hard bifurcation of the equilibrium state (an analogue of the first-order phase transition). Such a bifurcation is associated with two different parts of potential, in which the Lennard-Jones forces can be quite small (this is the vicinity of the potential minimum and the potential tail) and, therefore, the forces acting on the particle between the long and short bonds can be equal. Since practically all interatomic potentials possess such features, the above bifurcation is universal, i.e. it must occur for any monoatomic chain. We have studied in detail the properties of the above structures, in particular, the behavior of their parameters with increasing N. With the help of DFT-modeling, the electron density of the above structures near the bifurcation point is investigated.

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A Simplified Approach to the Problems of Room-Temperature Superconductivity

Cited by 6 publications

References 13 publications

Structure and Properties of Chained Carbon: Recent Ab Initio Studies

Structure and Properties of Chained Carbon: Recent Ab Initio Studies

New static structures in the strained carbon and boron chains

Static structures of strained carbon chains: DFT-modeling vs classical modeling of the chain with Lennard-Jones potential

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