Metal-free ferromagnetic metal and intrinsic spin semiconductor: two different kinds of SWCNT functionalized BN nanoribbons.

نویسنده

  • Ping Lou
چکیده

Two different kinds of SWCNT functionalized zigzag edge BN nanoribbons with n chains (n-ZBNNRs), namely, (a) B-edge functionalized by (m,m)SWCNT and N-edge modified with H (nZBNNR-B-(m,m)SWCNTs); and (b) the B-edge modified with H and the N-edge functionalized by (m,m)SWCNT (nZBNNR-N-(m,m)SWCNTs), have been predicted. Amazingly, we find that unlike the semiconducting and nonmagnetic H-modified n-ZBNNRs, the nZBNNR-B-(m,m)SWCNTs are intrinsic ferromagnetic metals, regardless of ribbon widths n and tube diameters (m,m). At a given (m,m), their local magnetic moments, at first, exhibit oscillation with increasing n, whereas when n is larger than 5, they are independent of n. In contrast, unlike the metallic and nonmagnetic (m,m)SWCNTs, the nZBNNR-N-(m,m)SWCNTs are ferromagnetic intrinsic spin-semiconductors with direct band gaps, regardless of n and (m,m). Their local magnetic moments and band gaps are independent of n and (m,m). The DFT calculations reveal that the process of SWCNT functionalization of the n-ZBNNRs does not need any activation energy. Moreover, the formation energies of the SWCNT functionalized n-ZBNNRs are always less than zero. Therefore, the SWCNT functionalized n-ZBNNRs are not only stable, but can also be spontaneously formed. Furthermore, compared with n-ZBNNRs, the SWCNT functionalized n-ZBNNRs show significant improvements in their thermal and mechanical stabilities. Thus, (m,m)SWCNT functionalization of n-ZBNNRs may open new routes toward practical nanoelectronic and optoelectronic as well as spintronic devices based on BNC-based materials.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Edge functionalized germanene nanoribbons: impact on electronic and magnetic properties

Germanene exhibits extremely high mobility, massless fermion behavior, and strong spin–orbit coupling drawing tremendous interest for high performance devices. It has a buckled two-dimensional structure, but not the intrinsic energy band gap and structural stability required for logic and switching devices. Application of a perpendicular electric field, surface adsorption, confinement of an arm...

متن کامل

Edge-functionalized and substitutionally doped graphene nanoribbons: Electronic and spin properties

Graphene nanoribbons are the counterpart of carbon nanotubes in graphene-based nanoelectronics. We investigate the electronic properties of chemically modified ribbons by means of density functional theory. We observe that chemical modifications of zigzag ribbons can break the spin degeneracy. This promotes the onset of a semiconducting-metal transition, or of a half-semiconducting state, with ...

متن کامل

Hydrogen dangling bonds induce ferromagnetism in two-dimensional metal-free graphitic-C3N4 nanosheets† †Electronic supplementary information (ESI) available: Experimental and characterization. See DOI: 10.1039/c4sc02576h Click here for additional data file.

Ferromagnetic two-dimensional (2D) ultrathin nanosheets hold great promise for next generation electronics. Ferromagnetic metal-free materials that usually possess only an s/p electronic configuration with weak spin–orbit coupling and a large spin relaxation time, would play an important role in constructing future spintronic devices. However, the absence of an intrinsic spin ordering structure...

متن کامل

Hydrogen dangling bonds induce ferromagnetism in two-dimensional metal-free graphitic-C3N4 nanosheets.

Ferromagnetic two-dimensional (2D) ultrathin nanosheets hold great promise for next generation electronics. Ferromagnetic metal-free materials that usually possess only an s/p electronic configuration with weak spin-orbit coupling and a large spin relaxation time, would play an important role in constructing future spintronic devices. However, the absence of an intrinsic spin ordering structure...

متن کامل

Metal-free spin and spin-gapless semiconducting heterobilayers: monolayer boron carbonitrides on hexagonal boron nitride.

The interfaces between monolayer boron carbonitrides and hexagonal boron nitride (h-BN) play an important role in their practical applications. Herein, we respectively investigate the structural and electronic properties of two metal-free heterobilayers constructed by vertically stacking two-dimensional (2D) spintronic materials (B4CN3 and B3CN4) on a h-BN monolayer from the viewpoints of latti...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • Physical chemistry chemical physics : PCCP

دوره 17 12  شماره 

صفحات  -

تاریخ انتشار 2015