Crystal facet effect on structural stability and electronic properties of wurtzite InP nanowires

Yang, Xiaodong; Shu, Haibo; Jin, Mengting; Liang, Pei; Cao, Dan; Li, Can; Chen, Xiaoshuang

doi:10.1063/1.4880742

Cited by 7 publications

(9 citation statements)

References 37 publications

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“…In the meanwhile, there is also a small amount (<10%) of WZ InP {1̅100} NWs observed due to the slightly larger in-plane lattice mismatch at the PdIn {110}/WZ InP {1̅100} interface as compared to the one of PdIn {110}/InP {2̅110}. These ⟨2̅110⟩ and ⟨1̅100⟩ orientations are nonpolar in wurtzite InP NWs as compared with typically observed polar ⟨0001⟩ orientation. ,− It should be noted that this in-plane lattice matching phenomenon contribute to the efficient NW growth with the excellent crystallinity and minimized defects via VSS mode as depicted in Figure b,c as compared with the commonly observed defective Au-catalyzed VLS grown InP NWs along ZB ⟨111⟩ and WZ ⟨0001⟩ directions. All these characteristics are also in good accordance with the previously reported Ni-catalyzed GaAs NW and Pd-catalyzed GaSb NW growth …”

Section: Resultsmentioning

confidence: 93%

Nonpolar-Oriented Wurtzite InP Nanowires with Electron Mobility Approaching the Theoretical Limit

et al. 2018

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As an important semiconductor nanomaterial, InP nanowires (NWs) grown with a typical vapor–liquid–solid mechanism are still restricted from their low electron mobility for practical applications. Here, nonpolar-oriented defect-free wurtzite InP NWs with electron mobility of as high as 2000 cm2 V–1 s–1 can be successfully synthesized via Pd-catalyzed vapor–solid–solid growth. Specifically, PdIn catalyst particles are involved and found to expose their PdIn{210} planes at the InP nucleation frontier due to their minimal lattice mismatch with nonpolar InP{2̅110} and {1̅100} planes. This appropriate lattice registration would then minimize the overall free energy and enable the highly crystalline InP NW growth epitaxially along the nonpolar directions. Because of the minimized crystal defects, the record-high electron mobility of InP NWs (i.e., 2000 cm2 V–1 s–1 at an electron concentration of 1017 cm–3) results, being close to the theoretical limit of their bulk counterparts. Furthermore, once the top-gated device geometry is employed, the device subthreshold slopes can be impressively reduced down to 91 mV dec–1 at room temperature. In addition, these NWs exhibit a high photoresponsivity of 104 A W–1 with fast rise and decay times of 0.89 and 0.82 s, respectively, in photodetection. All these results evidently demonstrate the promise of nonpolar-oriented InP NWs for next-generation electronics and optoelectronics.

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Section: Resultsmentioning

confidence: 93%

Nonpolar-Oriented Wurtzite InP Nanowires with Electron Mobility Approaching the Theoretical Limit

et al. 2018

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“…The result is very similar to the cases of InP and GaAs nanowires. 27,28 (iii) The VBM state in all four nanowire polytypes spatially spreads along their axis direction, but the CBM state in these nanowires indicates a different distribution. The CBM state displays a sawtooth-like distribution along {111}A facets in the 3C structure (Figure 5a) and an armchair-like distribution along the [0001] direction in the 2H structure (Figure 5b).…”

Section: Resultsmentioning

confidence: 99%

“…Meanwhile, it is the reason why the size dependence of band gap in all four nanowire polytypes indicates similar trend, while the crystal phase effect only leads to a very small band gap difference (∼0.1 eV) among the nanowire polytypes. Although some previous studies have reported the importance of surface effect in electronic structures of III–V semiconductor nanowires, − most of their results were obtained on the basis of bare or partly passivated nanowires. In the present study, all considered nanowires are passivated by hydrogens, and surface states of nanowires are eliminated by the hydrogen passivation.…”

Section: Resultsmentioning

confidence: 99%

Crystal Phase and Facet Effects on the Structural Stability and Electronic Properties of GaP Nanowires

Yang¹,

Shu

Liang³

et al. 2015

J. Phys. Chem. C

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The control of electronic properties of GaP nanowires is of particular importance for their applications in nanoelectronics and optoelectronics. However, a fundamental understanding is still lacking of atomic and electronic properties of GaP nanowires due to the diversity of the crystal phase in the fabricated nanowires. Here we reveal the crucial role of the crystal phase and nanowire facets in the structural and electronic properties of zinc-blende, wurtzite, and polytypic GaP nanowires by using the first-principles calculations. The stability mechanism of GaP nanowires depends on the competition between the crystal phase and facet effects: the former dominates the stability of larger-sized nanowires, but the stability of ultrathin nanowires is mainly determined by the latter. This mechanism can be applied to explain a large amount of experimental observations about the formation of stacking faults and twin defects during the growth of III−V semiconductor nanowires. Likewise, electronic properties of GaP nanowires, including band gap values and the band structure characteristic, are sensitive to not only the nanowire size but also the crystal phase. Moreover, the quantitative relationship between the band gap of GaP nanowire polytypes and their diameter has been established, and the calculated band gaps agree well with the experimental data. Our results can provide a theoretical guidance for engineering electronic structures of GaP nanowires as well as their applications in optoelectronic devices.

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“…To better evaluate the relative stability of the complex ZnO@(n, n) CNT structure, the formation energy ( E f ) of each encapsulated models were calculated using the following formula 35 : where E total is the total energy of the complex structure, E CNT and E ZnO represent the energy of individual CNT and ZnO, respectively. The calculated formation energies are depicted in Fig.…”

Section: Resultsmentioning

confidence: 99%

First-principles insights on the electronic and optical properties of ZnO@CNT core@shell nanostructure

Shen

Yang

Bian

et al. 2018

Sci Rep

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In recent years, various kinds of ZnO-based core@shell nanomaterials have been paid much attention due to their widespread applications in the fields of physics, chemistry and energy conversion. In this work, the electronic and optical properties of a new type of ZnO-based one-dimensional core@shell nanostructure, which is composed of inner ZnO nanowire and outer carbon nanotube (CNT), is calculated based on the first-principles density functional theory (DFT). Calculation results suggest that the ZnO nanowire encapsulated in (9, 9)-CNT is the most stable structure from the view of formation energy. The interaction between the inner ZnO nanowire and the outer (9, 9) CNT belongs to a weak van der Waals type. The complex structure is found to possess metallicity for the outer (9, 9) CNT and maintain the wide band gap nature for the inner ZnO nanowire. Under the different external strains, the charge redistribution between inner ZnO nanowire and outer CNT caused by electron tunneling leads to the shift of Dirac point and the band narrowing of inner ZnO nanowire. The inner ZnO nanowire only has light absorption in the UV region, which is consistent with its optical property originating from its wide bandgap nature.

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Crystal facet effect on structural stability and electronic properties of wurtzite InP nanowires

Cited by 7 publications

References 37 publications

Nonpolar-Oriented Wurtzite InP Nanowires with Electron Mobility Approaching the Theoretical Limit

Nonpolar-Oriented Wurtzite InP Nanowires with Electron Mobility Approaching the Theoretical Limit

Crystal Phase and Facet Effects on the Structural Stability and Electronic Properties of GaP Nanowires

First-principles insights on the electronic and optical properties of ZnO@CNT core@shell nanostructure

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