2015
DOI: 10.1021/acs.nanolett.5b00670
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Shell-Thickness Controlled Semiconductor–Metal Transition in Si–SiC Core–Shell Nanowires

Abstract: We study Si-SiC core-shell nanowires by means of electronic structure first-principles calculations. We show that the strain induced by the growth of a lattice-mismatched SiC shell can drive a semiconductor-metal transition, which in the case of ultrathin Si cores is already observed for shells of more than one monolayer. Core-shell nanowires with thicker cores, however, remain semiconducting even when four SiC monolayers are grown, paving the way to versatile, biocompatible nanowire-based sensors.

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Cited by 14 publications
(11 citation statements)
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References 66 publications
(80 reference statements)
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“…[17][18][19][20] A particular focus has been put on the coreshell interface broadening and the strain relaxation/strain sharing between core and shell. [21][22][23] Moreover, 2D quantum confinement effects and strain band-gap engineering are exploited in order to achieve improved opto-electronic performances [24][25][26][27][28] and thermoelectric efficiency. [29][30][31][32][33][34][35][36][37] Band-gap strain engineering of planar systems structures is efficiently used for ultra-thin Silicon On Insulator (SOI) based devices to provide compressive tensile strain.…”
Section: Introductionmentioning
confidence: 99%
“…[17][18][19][20] A particular focus has been put on the coreshell interface broadening and the strain relaxation/strain sharing between core and shell. [21][22][23] Moreover, 2D quantum confinement effects and strain band-gap engineering are exploited in order to achieve improved opto-electronic performances [24][25][26][27][28] and thermoelectric efficiency. [29][30][31][32][33][34][35][36][37] Band-gap strain engineering of planar systems structures is efficiently used for ultra-thin Silicon On Insulator (SOI) based devices to provide compressive tensile strain.…”
Section: Introductionmentioning
confidence: 99%
“…Si NWs can be fabricated with a lot of different large scale techniques which always produce high crystalline, stable and reproducible semiconductor materials (in contrast to carbon nanotubes) that can be easily integrated into current Si technology, iii) the possibility to easily functionalize their oxide surface. As discussed in Section 3, functionalization is an important aspect of Si NWs sensing as chemical or biological modification is often a fundamental requirement for their operation and biocompatibility[141,142,143,144,145,146,150]. Depending on the working principle of the sensor, metallic, covalent or non-covalent functionalization of Si NWs[141,142,151] have been proposed always assuming particular importance for the efficiency of the device, iv) the cylindrical 1D geometry that together with the small size induces electrical and optical properties that can be strongly influenced by minor perturbations.…”
mentioning
confidence: 99%
“…These large local strains represent a huge departure from the perfect crystal structure and introduce many electronic modes in the band gap, thereby making the gap totally disappear (Figure 4(f)). This particular phenomena has been reported in relatively thinner core-shell Si-SiC NWs and attributed to the relatively huge compressive strain ~9% [18]. It has been shown experimentally that bending increases nanowire conductivity [51], [52], so bandgap decrease and conductivity increase can be correlated.…”
Section: Electronic Transmissionmentioning
confidence: 54%