Strong correlation effects in the (5,5)@(10,10) double-walled carbon nanotubes in the framework of the t–J model

E Rostampour

doi:10.1007/s10825-016-0809-2

Abstract

Double-walled carbon nanotubes are coaxial nanostructures composed of exactly two single-walled carbon nanotubes, one nested in another. This unique structure offers advantages and opportunities for extending our knowledge and application of the carbon nanomaterials family. An emphasis is placed on the double wall physics that contributes to these structures' complex inter-wall coupling of electronic and optical properties. The susceptibility tensor of double-walled carbon nanotubes of the armchair type the ABAB packing of layers is investigated theoretically in the weak and strong correlation regime. We calculated the spin and charge susceptibility tensor for of the (5,5)@(10,10) double-walled carbon nanotubes using the random-phase approximation in the weak correlation regime. The relationship with the Heisenberg limit (large U/t) is discussed. Our results show that the susceptibility spectra of the (5,5)@(10,10) double-walled carbon nanotubes shift peaks to lower energies with increase in the correlation parameter of the t---J model $$(U\ge t)$$(Uźt). These results show that electronic correlation effects should be taken into account in theoretical studies of double-walled carbon nanotubes. We discuss the relevance of our results for the $$\hbox {C}_{20}$$C20 and $$\hbox {C}_{60}$$C60 fullerens and (5,5) nanotubes.

Highlights

Double-walled carbon nanotubes (DWCNTs) are intriguing materials that exhibit properties intermediate between those of single-walled carbon nanotubes (SWCNTs) and multiwalled carbon nanotubes (MWCNTs). These carbon nanomaterials formed from two concentric cylinders of graphene can be routinely synthesized with outer-wall diameters below 2 nm, and they exhibit band gaps that are sufficiently large for use in field-effect transistors [1,2,3]
There is no experimental evidence for understanding intertube interactions, because it is not possible to produce pure samples of DWCNTs using presently available synthesis techniques
These results clearly show that electronic correlations effects are important, and should be taken into account in theoretical studies of DWCNTs

Summary

Introduction

Double-walled carbon nanotubes (DWCNTs) are intriguing materials that exhibit properties intermediate between those of single-walled carbon nanotubes (SWCNTs) and multiwalled carbon nanotubes (MWCNTs). These carbon nanomaterials formed from two concentric cylinders of graphene can be routinely synthesized with outer-wall diameters below 2 nm, and they exhibit band gaps that are sufficiently large for use in field-effect transistors [1,2,3]. The early theoretical studies of the electronic properties of single-walled carbon nanotubes predicted that SWCNTs could be either metallic or semiconducting depending on their structural parameters [13,14,15].

Model and method

Results and discussions

Conclusions