"

Cookies ussage consent

I agree.

Our site saves small pieces of text information (cookies) on your device in order to deliver better content and for statistical purposes. You can disable the usage of cookies by changing the settings of your browser. By browsing our site without changing the browser settings you grant us permission to store that information on your device.

Spin-polarized electronic and transport properties of [V(Bz)2]n@SWBNNT and [V(Bz)2]n@DWBNNT nanocables

YONGFANG SUN1, CUICUI SUN1, GUILING ZHANG1,* , YAN SHANG1

Affiliation

  1. College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150040, China

Abstract

We have investigated electronic and transport properties of a novel form of [V(Bz)2]n@SWBNNT and [V(Bz)2]n@DWBNNT nanocables by means of density functional theory (DFT) and nonequilibrium Green’s function (NEGF) methods. It is found that endohedral encapsulation of [V(Bz)2]n into SWBNNT or DWBNNT could introduce magnetism for the hybrid nanocables. More importantly, the ferromagnetic state of the two nanocables is predicted to have a very high Curie or Neél temperature of over 1000 K, suggesting a potential candidate as magnetic nanopart. Transport properties of [V(Bz)2]n@SWBNNT and [V(Bz)2]n@DWBNNT are mainly controlled by the core [V(Bz)2]n nanowire and present a half-metallic character. Values of the spin-filter efficiency of [V(Bz)2]n@SWBNNT and [V(Bz)2]n@DWBNNT amount to more than 60%, which may be viewed as a new kind of spin filter. Encapsulating [V(Bz)2]n into either SWBNNT or DWBNNT can effectively tune electronic and transport properties and these nanocables can be potentially used as functional nanodevices..

Keywords

Spin polarized, [V(Bz)2]n@SWBNNT, [V(Bz)2]n@DWBNNT, Transport property.

Citation

YONGFANG SUN, CUICUI SUN, GUILING ZHANG, YAN SHANG, Spin-polarized electronic and transport properties of [V(Bz)2]n@SWBNNT and [V(Bz)2]n@DWBNNT nanocables, Optoelectronics and Advanced Materials - Rapid Communications, 11, 3-4, March-April 2017, pp.212-220 (2017).

Submitted at: Aug. 25, 2016

Accepted at: April 6, 2017