Computational Engineering of the Stability and Optical Gaps of SiC Quantum Dots

Reboredo, Fernando A.; Pizzagalli, Laurent; Galli, Giulia

doi:10.1021/nl049876k

Cited by 76 publications

(64 citation statements)

References 21 publications

(29 reference statements)

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“…Since this emission band cannot be detected by using 488 nm (2.54 eV) light excitation, it indicates the size of the clusters is quite small though we cannot estimate the actual size exactly at the present stage. The theoretical work suggested that the formation of SiC nanoclusters is favorable in SiC films when high gas ration of [CH 4 ]/[SiH 4 ] is applied and the UV-blue light emission could be realized which is related to the surface states on the small SiC nanoclusters [6].…”

Section: Discussionmentioning

confidence: 99%

See 1 more Smart Citation

UV and blue light emission from SiC nanoclusters in annealed amorphous SiC alloys

Mei

Rui

et al. 2006

Journal of Non-Crystalline Solids

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Section: Discussionmentioning

confidence: 99%

“…More recently, ab initio calculation suggested that SiC nanodots can be prepared in high gas ratio R = [CH 4 ]/[SiH 4 ] with high optical band gap and stability. Therefore, it is a good candidate to build a new material for semiconductor-based UV light source [6].…”

Section: Introductionmentioning

confidence: 99%

UV and blue light emission from SiC nanoclusters in annealed amorphous SiC alloys

Mei

Rui

et al. 2006

Journal of Non-Crystalline Solids

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“…Recently, Rurali [8] has shown that a pure SiC nanowire grown along the [100] direction with a bulk zinc-blende core is metallic due to the presence of surface states, but hydrogen terminated wires exhibit quantum confinement effect, i.e., a broadening of band gap energy. Quantum confinement effect has also been demonstrated in other nanoscale SiC systems [9,10]. However, SiC quantum dots obtained by etching hexagonal SiC (6H-SiC) have yielded contradictory results on quantum confinement effects [11,12].…”

mentioning

confidence: 99%

Electronic and mechanical properties of wurtzite type SiC nanowires

Durandurdu

2006

Physica Status Solidi (b)

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One-dimensional nanomaterials have attracted considerable attention due to their potential use in nanotechnology. To date various types of nanostructures have been synthesized by a number of experimental techniques. Silicon carbide (SiC) based nanoscale materials are currently attracting great interest since SiC is a promising material for next generation of electronic devices. SiC is expected to have some advantages over silicon based nanostructures because of its outstanding physical properties, such as excellent chemical stability, a wide band gap, high stiffness, high hardness, high thermal conductivity and a high melting point.Recent experiments have revealed a variety of SiC based nanoscale materials. Sun et al. have produced SiC nanotubes and nanowires with various shapes and structures through the reaction of silicon with multiwalled carbon nanotubes at different temperatures [1]. SiC nanowires with 10 to 30 nm diameters have been grown by chemical vapor deposition technique [2,3]. Using an iron particle as a catalyzer, Zhou et al. [4] manage to reduce the SiC wire size to 5 nm. SiC nanowires also have been synthesized by arcdischarge [5,6] and by direct chemical reaction [7]. However, little is known about the atomic structures and physical properties of these SiC nanowires. Recently, Rurali [8] has shown that a pure SiC nanowire grown along the [100] direction with a bulk zinc-blende core is metallic due to the presence of surface states, but hydrogen terminated wires exhibit quantum confinement effect, i.e., a broadening of band gap energy. Quantum confinement effect has also been demonstrated in other nanoscale SiC systems [9,10]. However, SiC quantum dots obtained by etching hexagonal SiC (6H-SiC) have yielded contradictory results on quantum confinement effects [11,12]. The observation of the quantum effects makes SiC nanostructures an even more interesting system because it suggests a possibility of designing SiC based materials with blue or higher frequency emission, e.g., UV.A wurtzite type SiC nanorod with an average diameter of 20 nm and a length of 100 nm has been obtained by pulsed laser ablation on 6H-SiC near 1200 °C [13]. Based on the known stability of the unreconstructed (1010) surface of the wurtzite structure [14], one expects that wurtzite type SiC nanorods (W-SiCNRs) or nanowires (W-SiCNWs) might show remarkable stability. However, a detailed understanding of the structure of thin W-SiCNRs and W-SiCNWs and of their electronic and mechanical properties is required for their future developments and applications in nanotechnology. In this Letter, we carry out ab initio calculations to explore the one-dimensional behavior of pure and hydrogen passivated SiC nanowires grown along [0001] direction of the wurtzite structure. Such an investigation is also helpful in understanding the stability and physical properties of other hexagonal-type (4H and 6H) SiC nanowires/nanorods.The calculations were performed with the SIESTA code [15], which implements density functional theory (DFT) with the p...

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“…On the theoretical front, the results of investigations on the structure and electronic properties of SiC nanostructures, employing semiempirical and first-principle calculations [41][42][43] suggest that the band gap of SiC nanostructures has a strong dependence on their sizes and surface compositions.…”

Section: Silicon Carbide Nanostructures Versusmentioning

confidence: 99%

Diverse Role of Silicon Carbide in the Domain of Nanomaterials

Sahu

Ghosh

Pradhan

et al. 2012

International Journal of Electrochemistry

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Silicon carbide (SiC) is a promising material due to its unique property to adopt different crystalline polytypes which monitor the band gap and the electronic and optical properties. Despite being an indirect band gap semiconductor, SiC is used in several highperformance electronic and optical devices. SiC has been long recognized as one of the best biocompatible materials, especially in cardiovascular and blood-contacting implants and biomedical devices. In this paper, diverse role of SiC in its nanostructured form has been discussed. It is felt that further experimental and theoretical work would help to better understanding of the various properties of these nanostructures in order to realize their full potentials.

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Computational Engineering of the Stability and Optical Gaps of SiC Quantum Dots

Cited by 76 publications

References 21 publications

UV and blue light emission from SiC nanoclusters in annealed amorphous SiC alloys

UV and blue light emission from SiC nanoclusters in annealed amorphous SiC alloys

Electronic and mechanical properties of wurtzite type SiC nanowires

Diverse Role of Silicon Carbide in the Domain of Nanomaterials

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