Large diameter multiwall nanotubes of MgB₂: Structural aspects and stability of superconducting nanotubular magnesium boride

Abstract

Based on a theoretical study, we demonstrated that magnesium boride nanotubes can reach the same stability as bulk MgB 2 structure. However, most stable nanotubular forms are not structurally derived from mixed triangular-hexagonal structural motifs of a single layer sheet, which is thought to be the 2D precursor form of all boron nanotubes. MgB 2 multiwall nanotubular structures that are derived from multilayer MgB 2 slabs with honeycomb Bnetworks in hexagonal lattices are more stable. The results of an ab initio study of multilayer slabs of MgB 2 show that a 25-layer slab approaches the stability of bulk MgB 2 . The critical parameter of the corresponding multiwall nanotubes is the inner diameter; the calculated value is ~ 32.6nm, which is independent of the number of walls. The outer diameters of 25-wall nanotubes are ~ 51 nm, and terminal Mg atoms are located on the outer surfaces of the nanotubes. The electronic band structures of MgB 2 -multiwall nanotubes (MgB 2 MWNT) correspond to the band structure character and topology of superconducting bulk MgB 2 . The results confirm that the quasi-1D superconductor MgB 2 MWNT is a stable structure and can be synthesized.

Aspects of strong electron–phonon coupling in superconductivity of compressed metal hydrides MH6 (M = Mg, Ca, Sc, Y) with Im-3m structure

“…More specific arrangement of the theory toward superconductivity is available in the form of open access papers [52][53][54] in physical journals. On semiempirical level, the theory was applied to study superconductivity 48,[55][56][57][58][59][60][61][62] in anti-adiabatic state for different groups of superconductors or to study some spectral properties of superconductors, e.g. ARPES 55,56 or pump-probe spectroscopy of relaxation processes in superconductors 62 .…”

Microscopic insight into the pump–probe relaxation dynamics of superconductors: Model study of MgB2 relaxation within nonlinear response theory

“…It was shown that the electronic and thermodynamic properties of the system in a stabilized anti-adiabatic state correspond to the properties of that particular system in a superconducting state. Recently, this theory has been applied for the prediction of superconductivity in new boron-based nanotubular materials [33,34]. Theoretical study of anti-adiabatic state transition in MgB 2 has been published [25], with the calculated parameters being in good agreement with experiments [35,36].…”

Ultralight and Flexible MWNTs/Polyimide Hybrid Aerogels for Elastic Conductors

“…As a kind of 1D carbon nanomaterials because of its unique properties and low cost, multiwalled carbon nanotubes (MWNTs) show great potential to be used in the field of nanoelectronic, superconductors, electrochemical capacitors, micro‐supercapacitors, nanowires, and energy harvesting . Herein, we reported a novel strategy to fabricate functionalized MWNTs/PI nanocomposite aerogels.…”