Spin Controlling in Narrow Zigzag Silicon Carbon Nanoribbons by Carrier Doping

Lou, Ping; Lee, Jin Yong

doi:10.1021/jp911953z

Cited by 48 publications

(54 citation statements)

References 64 publications

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“…48 It was also found that holes and electrons injected by removing or adding electrons from the ZSiC NRs resulted in the magnetization and change of the magnetization direction of the ZSiC NRs. 49 Here, we present new findings on the N-ZSiC NR by hole and electron doping. We investigated the width (N) dependence on the magnetization of N-ZSiC NR with electron and hole doping.…”

Section: Introductionmentioning

confidence: 86%

“…46,47 We recently reported that the zigzag silicon carbon nanoribbons (ZSiC NRs) can be utilized for manipulating the magnetization by applying an electric field 48 and carrier (hole and electron) doping. 49 It was found that the ZSiC NRs showed the magnetization by a transverse electric field as well as the conversion of spin polarization. 48 It was also found that holes and electrons injected by removing or adding electrons from the ZSiC NRs resulted in the magnetization and change of the magnetization direction of the ZSiC NRs.…”

Section: Introductionmentioning

confidence: 99%

“…The opposite trend was obtained by hole doping as reported previously. 49 The values of x up,h /x down,h were calculated to be 0.45/0.60, 0.48/0.70, and 0.50/0.82 for N = 4, 6, and 8, respectively.…”

mentioning

confidence: 96%

“…As a result, a transverse internal electric field appears across the ribbons. 48,49 Thus, both edge states of N-ZSiC NR are asymmetric. Note that, for both systems, the magnetic ground state as well as the characteristics of metallicity is determined by the band structures of the spin-up and spin-down at Fermi energy which originates from the edge states.…”

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confidence: 99%

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Unusual Non-magnetic Metallic State in Narrow Silicon Carbon Nanoribbons by Electron or Hole Doping

Lou¹,

Lee²

2012

Bulletin of the Korean Chemical Society

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We investigated the width (N) dependence on the magnetization of N-ZSiC NR with electron and hole doping on the basis of systematic DFT calculations. The critical values of the upper and down critical concentration to give the maximum and zero magnetic moment at edge Si/C atoms by electron/hole doping (x up,e , x down,e , x up,h , and x down,h ) depend on the width of N-ZSiC NR. Moreover, due to x up,e ≠ x up,h and x down,e ≠ x down,h , the electron and hole doping effect are asymmetry, i.e, the critical electron doping value (x down,e ) is smaller than the critical hole doping value (x down,h ) and is almost independent of the width of NZSiC NR though the other critical values of the electron and hole doping that influence the magnetization of N-ZSiC NR depend on the width. It was also found that at x down,e or x down,h doping, the N-ZSiC NR turns into unusual non-magnetic metallic state. The magnetic behavior was discussed based on the band structures and projected density of states (PDOS) under the effect of electron/hole doping.

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Section: Introductionmentioning

confidence: 86%

Section: Introductionmentioning

confidence: 99%

mentioning

confidence: 96%

mentioning

confidence: 99%

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Unusual Non-magnetic Metallic State in Narrow Silicon Carbon Nanoribbons by Electron or Hole Doping

Lou¹,

Lee²

2012

Bulletin of the Korean Chemical Society

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“…For the ZSiC NRs wider than 0.6 nm and narrower than 1.7 nm, the ground state is a ferrimagnetic state with two different direct band gaps for the spin-up and the spin-down channels, and thus it is semiconducting instead of half-metallic. Moreover, they reported that the ZSiC NRs can be utilized for manipulating the magnetization by applying an electric field [25], as well as by carrier (hole and electron) doping [26]. Recently, Zheng et al [27] studied the band-gap modulations of SiC NRs by transverse electric fields.…”

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confidence: 99%

Boron and nitrogen substitutional impurities inducing magnetic and half‐metallic behavior in zigzag silicon carbon nanoribbons

Lou

2011

Physica Status Solidi (b)

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Zigzag silicon carbon nanoribbons (ZSiC NRs) containing one substitutional nitrogen (N) or boron (B) atom in each super cell that includes four units are investigated by first-principles calculations. It is found that the system where one of the edge Si atoms was substituted by a B atom presents ferromagnetic half-metallic behavior, while the system where one of the edge C atoms was substituted by an N atom shows ferrimagnetic halfmetallic behavior. Moreover, in contrast to the pristine system, where the edge magnetism appears at both edges, the edge magnetism of the B-doped system only appears at the C edge, while the edge magnetism of the N-doped system only appears at the Si edge. These are because a B atom substituting one of the edge Si atoms destroys the local spin moment at the edge Si atoms, but an N atom substituting one of the edge C atoms destroys the local spin moment at the edge C atoms. When the size of the super cell increases to six units, the dilute doping case, the local spin moment at some edge atoms, where the substitution impurity resides at the edge, remains. This means that the dilute doping fails to completely destroy the local spin moment at the edge atoms, where the impurity resides at the edge. However, the half-metallic band structure remains in the dilute doping case. Thus, a B atom substituting one of the edge Si atoms, as well as an N atom substituting one of the edge C atoms, induces a semiconductor-half-metallic transition in the ZSiC NRs.

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The Effects of the Formation of Stone–Wales Defects on the Electronic and Magnetic Properties of Silicon Carbide Nanoribbons: A First‐Principles Investigation

Guan

Ding

et al. 2013

ChemPhysChem

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Detailed first-principles density functional theory (DFT) computations were performed to investigate the geometries, the electronic, and the magnetic properties of both armchair-edged silicon carbide nanoribbons (aSiCNRs) and zigzag-edged silicon carbide nanoribbons (zSiCNRs) with Stone-Wales (SW) defects. SW defects in the center of aSiCNRs can remarkably reduce their band gaps, irrespective of the orientation of the defect, whereas zSiCNRs with SW defects in the center or at the edges exhibit degenerate energies of their ferromagnetic (FM) and antiferromagnetic (AFM) states, in which metallic and half-metallic behavior can be observed, respectively; half-metallic behavior can even be observed in both the FM and AFM states simultaneously. Further, it was shown that the formation energies of the SW defects in SiCNRs are orientation dependent, and the formation of edge defects is always favored over the formation of interior defects in zSiCNRs. The possible existence of SW defects in SiCNRs was further validated through exploring the kinetic process of their formation. These findings can be anticipated to provide valuable information in promoting the potential applications of SiC-based nanomaterials in multifunctional and spintronic nanodevices.

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Spin Controlling in Narrow Zigzag Silicon Carbon Nanoribbons by Carrier Doping

Cited by 48 publications

References 64 publications

Unusual Non-magnetic Metallic State in Narrow Silicon Carbon Nanoribbons by Electron or Hole Doping

Unusual Non-magnetic Metallic State in Narrow Silicon Carbon Nanoribbons by Electron or Hole Doping

Boron and nitrogen substitutional impurities inducing magnetic and half‐metallic behavior in zigzag silicon carbon nanoribbons

The Effects of the Formation of Stone–Wales Defects on the Electronic and Magnetic Properties of Silicon Carbide Nanoribbons: A First‐Principles Investigation

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