Electronic structures and optical properties induced by silicon twin boundaries: The first-principle calculation

Liu, X.X.; Liu, L.Z.; Wu, X. L.; Chu, Paul K.

doi:10.1016/j.physleta.2015.02.042

Cited by 10 publications

(6 citation statements)

References 66 publications

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“…In general, properties of materials can be modified by the presence of nano-twins 24 . This is particularly the case of semiconductors, which optical properties are impacted 25 – 27 . Nano-twins can also be used to enhance the thermoelectric properties of semiconductors as suggested by Zhou et al .…”

Section: Discussionmentioning

confidence: 99%

Size-induced twinning in InSb semiconductor during room temperature deformation

Mignerot

Kedjar

Bahsoun

et al. 2021

Sci Rep

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Room-temperature deformation mechanism of InSb micro-pillars has been investigated via a multi-scale experimental approach, where micro-pillars of 2 µm and 5 µm in diameter were first fabricated by focused ion beam (FIB) milling and in situ deformed in the FIB-SEM by micro-compression using a nano-indenter equipped with a flat tip. Strain rate jumps have been performed to determine the strain rate sensitivity coefficient and the related activation volume. The activation volume is found to be of the order of 3–5 b3, considering that plasticity is mediated by Shockley partial dislocations. Transmission electron microscopy (TEM) thin foils were extracted from deformed micro-pillars via the FIB lift-out technique: TEM analysis reveals the presence of nano-twins as major mechanism of plastic deformation, involving Shockley partial dislocations. The presence of twins was never reported in previous studies on the plasticity of bulk InSb: this deformation mechanism is discussed in the context of the plasticity of small-scale samples.

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Section: Discussionmentioning

confidence: 99%

Size-induced twinning in InSb semiconductor during room temperature deformation

Mignerot

Kedjar

Bahsoun

et al. 2021

Sci Rep

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“…Previous theoretical works have suggested that the optical properties of a plasmonic metal should depend on the mean free path of electron scattering, and the shorter the path, the greater the damping. − In our case, the numerous defects, especially the interfacial defects, can shorten the mean free path of electron scattering, and this eventually increases the electronic oscillation damping. ,, This increased damping further weakens the local electromagnetic field amplitude and eventually leads to the weak SERS activity of the metal. , …”

mentioning

confidence: 65%

“…Therefore, the NSs’ weak SERS performance should not be attributed to the mismatch of excitation wavelengths but to other reasons. Considering the extremally wide LSPR peak of the Au NSs and their homogeneity in the structure, size, and morphology, it is reasonable to claim that the broad extinction peak could suggest the heavy damping of the NSs. − …”

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confidence: 99%

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Abnormally Weak Surface-Enhanced Raman Scattering Activity of Tip-Rich Au Nanostars: The Role of Interfacial Defects

Guo

Zhu

Bao

et al. 2022

J. Phys. Chem. Lett.

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Designing and regulating the geometry of a given plasmonic metal (Au, Ag, etc.) has become one of the most efficient approaches to achieve highly active surface-enhanced Raman spectroscopy (SERS) substrates, but this work demonstrates that plain efforts on this may not be enough. Here, we report that the often-neglected inner crystal defects also have huge impacts on the SERS activity, through a case of Au nanostars (NSs) with good SERS geometry but rich in defects. The results suggest that the interfacial defects (twin boundaries and superlattices) in the NSs aggravate the electronic oscillation damping via reducing the free path of electron scattering. This eventually results in weak local electromagnetic fields near the NS surfaces (or weak SERS activity of the NSs). This study has demonstrated the huge impact of interfacial defects on SERS activity and thus has a significant guideline for the design and fabrication of efficient SERS substrates.

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“…The co-exsistance of ZB/WZ segments within a structure has been referred to as polytypism. This effect has been studied for multiple systems such as GaAs [30],InP [31], InAs [32], ZnO [33], Si [34] and other III-V and II-VI compounds and has been shown to have a significant impact on the optical and electronic properties of the materials.…”

Section: Resultsmentioning

confidence: 99%

Stacking defects in GaP nanowires: Electronic structure and optical properties

Gupta

Goktas

Rao

et al. 2019

Journal of Applied Physics

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Formation of twin boundaries during the growth of semiconductor nanowires is very common. However, the effects of such planar defects on the electronic and optical properties of nanowires are not very well understood. Here, we use a combination of ab initio simulation and experimental techniques to study these effects. Twin boundaries in GaP are shown to act as an atomically-narrow plane of wurtzite phase with a type-I homostructure band alignment. Twin boundaries and stacking faults (wider regions of the wurtzite phase) lead to the introduction of shallow trap states observed in photoluminescence studies. These effects should have a profound impact on the efficiency of nanowire-based devices. * rubelo@mcmaster.ca 1 arXiv:1810.01194v2 [cond-mat.mtrl-sci] 11 Mar 2019 III-V semiconductor nanowires (NWs) have applications in electronic, optoelectronic, and photonic devices [1]. III-V NWs can be grown epitaxially on Si making integration of III-V optoelectronic devices with Si-based technology possible [2][3][4]. NWs with embedded quantum dots (e.g.GaAs quantum dots in GaP NWs) have shown potential for use in light-emitting diodes (LEDs), lasers and photodetectors [5].Crystal imperfections in 111 oriented III-V NWs is one of the factors that can limit the performance of optoelectronic devices. Twin boundaries (TBs) are one of the most abundant planar defects observed in NWs [6] as well as bulk semiconductors [7]. A very high twin plane density is usually observed in NWs due to their relatively low stacking fault energy, especially for GaP (30 meV/atom) [8], which can be easily overcome at typical NW synthesis temperatures. Planar crystal defects, such as TBs and stacking faults, can affect electron transport by acting as a carrier scattering source [9, 10], a recombination center [11-13] or a trap [14, 15]. Unwanted radiative or non-radiative recombination associated with mid-gap states can be detrimental to the efficiency of optoelectronic devices such as removing carriers from the desired recombination channel in lasers or LEDs or reducing carrier collection in photovoltaic cells. Understanding the potential effects of such defects on the electronic and optical properties of NWs is critical for NW optoelectronic devices.Here, we present structural and optical studies of GaP NWs combined with ab initio calculations to establish a structure-property relationship. Despite GaP being an indirect semiconductor, photoluminescence (PL) spectra of GaP NWs show optical transitions at energies lower than the fundamental band gap of bulk GaP. Transmission electron microscopy (TEM) analysis of NWs indicates that GaP is present in the zinc blende (ZB) phase along with the existence of TBs. We use a density functional theory (DFT) to establish a model of the 111 TB in GaP and propose an effective band diagram that explains the origin of sub-band gap optical transitions. II. METHOD A. Experimental detailsGaP NWs were grown on (111) Si by the self-assisted (seeded by a Ga droplet) selective-area epitaxy method using a multi-source ...

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Electronic structures and optical properties induced by silicon twin boundaries: The first-principle calculation

Cited by 10 publications

References 66 publications

Size-induced twinning in InSb semiconductor during room temperature deformation

Size-induced twinning in InSb semiconductor during room temperature deformation

Abnormally Weak Surface-Enhanced Raman Scattering Activity of Tip-Rich Au Nanostars: The Role of Interfacial Defects

Stacking defects in GaP nanowires: Electronic structure and optical properties

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