Pristine semiconducting [110] silicon nanowires

We report results of ab initio calculations on silicon nanowires oriented along the [110] direction and show for the first time that these pristine silicon nanowires are indirect band gap semiconductors. The nanowires have bulk Si core and are bounded by two (100) and two (110) planes in lateral directions. The (100) planes are atomically reconstructed with dimerization in a manner similar to the (100) surface of bulk Si but the dimer arrays are perpendicular to each other on the two (100) planes. An interesting consequence of surface reconstruction is the possibility of polytypism in thicker nanowires. We discuss its effects on the electronic structure. These findings could have important implications for the use of silicon nanowires in nanoscale devices as experimentally [110] nanowires have been found to grow preferentially in the small diameter range.     

Giant enhancement of the carrier mobility in silicon nanowires with diamond coating

We show theoretically that the low-field carrier mobility in silicon nanowires can be greatly enhanced by embedding the nanowires within a hard material such as diamond. The electron mobility in the cylindrical silicon nanowires with 4-nm diameter, which are coated with diamond, is 2 orders of magnitude higher at 10 K and a factor of 2 higher at room temperature than the mobility in a free-standing silicon nanowire. The importance of this result for the downscaled architectures and possible silicon-carbon nanoelectronic devices is augmented by an extra benefit of diamond, a superior heat conductor, for thermal management.     

Measurement of carrier mobility in silicon nanowires

We report the first direct capacitance measurements of silicon nanowires (SiNWs) and the consequent determination of field carrier mobilities in undoped-channel SiNW field-effect transistors (FETs) at room temperature. We employ a two-FET method for accurate extraction of the intrinsic channel resistance and intrinsic channel capacitance of the SiNWs. The devices used in this study were fabricated using a top-down method to create SiNW FETs with up to 1000 wires in parallel for increasing the raw capacitance while maintaining excellent control on device dimensions and series resistance. We found that, compared with the universal mobility curves for bulk silicon, the electron and hole mobilities in nanowires are comparable to those of the surface orientation that offers a lower mobility.     

Magic structures of h-passivated 110 silicon nanowires

We report a genetic algorithm approach combined with ab initio calculations to determine the structure of hydrogenated 110 Si nanowires. As the number of atoms per length increases, we find that the cross section of the nanowire evolves from chains of six-atom rings to fused pairs of such chains to hexagons bounded by {001} and {111} facets. Our calculations predict that hexagonal wires become stable starting at about 1.2 nm diameter, which is consistent with recent experimental reports of nanowires with diameters of about 3 nm.     

Excitation of local field enhancement on silicon nanowires

The interaction between light and reduced-dimensionality silicon attracts significant interest due to the possibilities of designing nanoscaled optical devices, highly cost-efficient solar cells, and ultracompact optoelectronic systems that are integrated with standard microelectronic technology. We demonstrate that Si nanowires (SiNWs) possessing metal-nanocluster coatings support a multiplicatively enhanced near-field light-matter interaction. Raman scattering from chemisorbed probing molecules provides a quantitative measure of the strength of this enhanced coupling. An enhancement factor of 2 orders of magnitude larger than that for the surface plasmon resonance alone (without the SiNWs) along with the attractive properties of SiNWs, including synthetic controllability of shape, indicates that these nanostructures may be an attractive and versatile material platform for the design of nanoscaled optical and optoelectronic circuits.     

Effects of strain on the carrier mobility in silicon nanowires

We investigate electron and hole mobilities in strained silicon nanowires (Si NWs) within an atomistic tight-binding framework. We show that the carrier mobilities in Si NWs are very responsive to strain and can be enhanced or reduced by a factor >2 (up to 5×) for moderate strains in the ± 2% range. The effects of strain on the transport properties are, however, very dependent on the orientation of the nanowires. Stretched 100 Si NWs are found to be the best compromise for the transport of both electrons and holes in ≈10 nm diameter Si NWs. Our results demonstrate that strain engineering can be used as a very efficient booster for NW technologies and that due care must be given to process-induced strains in NW devices to achieve reproducible performances.     

Influence of deposition parameters on hole mobility in polymorphous silicon

Time-of-flight transient photoconductivity measurements reveal a monotonic increase with the deposition pressure in the hole mobility in polymorphous silicon for samples deposited under hydrogen dilution. With helium dilution, a maximum mobility that matches the highest value from H-dilution samples is measured at the intermediate pressure of 1.4 Torr. The deposition rate of those samples is twice the rate for the H-dilution ones. For the samples with the best hole mobilities, the valence-band tail is comparable to the one of standard hydrogenated amorphous silicon.     

Orientation-dependent interfacial mobility governs the anisotropic swelling in lithiated silicon nanowires

Recent independent experiments demonstrated that the lithiation-induced volume expansion in silicon nanowires, nanopillars, and microslabs is highly anisotropic, with predominant expansion along the <110> direction but negligibly small expansion along the <111> direction. The origin of such anisotropic behavior remains elusive. Here, we develop a chemomechanical model to study the phase evolution and morphological changes in lithiated silicon nanowires. The model couples the diffusive reaction of lithium with the lithiation-induced elasto-plastic deformation. We show that the apparent anisotropic swelling is critically controlled by the orientation-dependent mobility of the core-shell interface, i.e., the lithiation reaction rate at the atomically sharp phase boundary between the crystalline core and the amorphous shell. Our results also underscore the importance of structural relaxation by plastic flow behind the moving phase boundary, which is essential to quantitative prediction of the experimentally observed morphologies of lithiated silicon nanowires. The study sheds light on the lithiation-mediated failure in nanowire-based electrodes, and the modeling framework provides a basis for simulating the morphological evolution, stress generation, and fracture in high-capacity electrodes for the next-generation lithium-ion batteries.     

Unique electronic band structures of hydrogen-terminated [Formula: see text] silicon nanowires

Band structure mutation from an indirect to a direct gap is a well-known character of small hydrogen-terminated [Formula: see text] and [Formula: see text] silicon nanowires (SiNWs), and suggests the possible emission of silicon. In contrast, we show that hydrogen-terminated [Formula: see text] SiNWs consistently present indirect band gaps even at an extremely small size, according to our calculations using density functional theory. Interestingly, the band gap of [Formula: see text] SiNWs shows a quasi-direct feature as the wire size increases, suggesting the possibility of using medium SiNWs in optoelectronic devices. This result also indicates that the electronic structures of SiNWs are strongly orientation dependent.     

Pinpoint and bulk electrochemical reduction of insulating silicon dioxide to silicon

Silicon dioxide (SiO(2)) is conventionally reduced to silicon by carbothermal reduction, in which the oxygen is removed by a heterogeneous-homogeneous reaction sequence at approximately 1,700 degrees C. Here we report pinpoint and bulk electrochemical methods for removing oxygen from solid SiO(2) in a molten CaCl(2) electrolyte at 850 degrees C. This approach involves a 'contacting electrode', in which a metal wire supplies electrons to a selected region of the insulating SiO(2). Bulk reduction of SiO(2) is possible by increasing the number of contacting points. The same method was also demonstrated with molten LiCl-KCl-CaCl(2) at 500 degrees C. The novelty and relative simplicity of this method might lead to new processes in silicon semiconductor technology, as well as in high-purity silicon production. The methodology may be applicable to electrochemical processing of a wide variety of insulating materials, provided that the electrolyte dissolves the appropriate constituent ion(s) of the material.     

Electrophoretic deposition [EPD] applied to reaction joining of silicon carbide and silicon nitride ceramics

Electrophoretic Deposition (EPD) was used to deposit a mixture of SiC or Si₃N₄ filler and reactive carbon (graphite and carbon black) particles onto various SiC or Si₃N₄ parts in preparation for reaction bonding. The particles had gained a surface charge when mixed into an organic liquid consisting of 90 w % acetone + 10 w % n-butyl amine to form a slurry. The charged particles then moved when placed under the influence of an electric field to form a green deposit on the ceramic parts. The green parts were then dried and subsequently joined using a reaction bonding method. In this reaction bonding, molten Si moves into the joint via capillary action and then dissolves carbon and precipitates additional SiC. An optimum mixture of SiC filler to C powder ratio of 0.64 was identified. Residual un-reacted or free Si was minimized as a result of selecting powders with well-characterized particle size distributions and mixing them in batch formulas generated as part of the research. Image analysis of resulting microstructures indicated residual free Si content as low as 7.0 vol % could be realized. Seven volume percent compares favorably with the lowest free Si levels available in experimental samples of bulk siliconized (reaction-bonded) SiC manufactured using conventional reaction-bonding techniques. The joints retained the residual silicon over a large number of high-temperature thermal cycles (cycling from below to above the melting point of silicon). Comparisons to commercial reaction-bonded SiC indicated the majority of residual silicon of the joint was retained in closed porosity. This infers that parts made with these joints might be successfully utilized at very high temperatures. It was demonstrated that the EPD technique could be applied to butt, lap, and scarf type joints, including the capability to fill large gaps or undercut sections between parts to be joined. The overall results indicate that EPD, combined with reaction bonding, should allow for the fabrication of large complex structures manufactured from smaller components consisting of silicon carbide or silicon nitride.     

Ultrafast electron and hole dynamics in germanium nanowires

We present the first ultrafast time-resolved optical measurements, to the best of our knowledge, on ensembles of germanium nanowires. Vertically aligned germanium nanowires with mean diameters of 18 and 30 nm are grown on (111) silicon substrates through chemical vapor deposition. We optically inject electron-hole pairs into the nanowires and exploit the indirect band structure of germanium to separately probe electron and hole dynamics with femtosecond time resolution. We find that the lifetime of both electrons and holes decreases with decreasing nanowire diameter, demonstrating that surface effects dominate carrier relaxation in semiconductor nanowires.     

Phase transition and compressibility in silicon nanowires

Silicon nanowires (Si NWs), one-dimensional single crystalline, have recently drawn extensive attention, thanks to their robust applications in electrical and optical devices as well as in the strengthening of diamond/SiC superhard composites. Here, we conducted high-pressure synchrotron diffraction experiments in a diamond anvil cell to study phase transitions and compressibility of Si NWs. Our results revealed that the onset pressure for the Si I-II transformation in Si NWs is approximately 2.0 GPa lower than previously determined values for bulk Si, a trend that is consistent with the analysis of misfit in strain energy. The bulk modulus of Si-I NWs derived from the pressure-volume measurements is 123 GPa, which is comparable to that of Si-V NWs but 25% larger than the reported values for bulk silicon. The reduced compressibility in Si NWs indicates that the unique wire-like structure in nanoscale plays vital roles in the elastic behavior of condensed matter.     

The growth of small diameter silicon nanowires to nanotrees

In this work we have studied a way to control the growth of small diameter silicon nanowires by?the vapour-liquid-solid (VLS) mode. We have developed a method to deposit colloids with good density control, which is a key point for control of the nanowire (NW) diameter. We also show the high dependence of the allowed growth diameter on the growth conditions, opening the door to the realization of as-grown 2?nm silicon NWs. Finally we have developed a smart way to realize nanotrees in the same run, by tuning the growth conditions and using gold on the sidewall of nanowires, without the need for two catalyst deposition steps.     

Size-scaling in optical trapping of silicon nanowires

We investigate size-scaling in optical trapping of ultrathin silicon nanowires showing how length regulates their Brownian dynamics, optical forces, and torques. Force and torque constants are measured on nanowires of different lengths through correlation function analysis of their tracking signals. Results are compared with a full electromagnetic theory of optical trapping developed in the transition matrix framework, finding good agreement.     

Growth direction modulation and diameter-dependent mobility in InN nanowires

Diameter-dependent electrical properties of InN nanowires (NWs) grown by chemical vapor deposition have been investigated. The NWs exhibited interesting properties of coplanar deflection at specific angles, either spontaneously, or when induced by other NWs or lithographically patterned barriers. InN NW-based back-gated field effect transistors (FETs) showed excellent gate control and drain current saturation behaviors. Both NW conductance and carrier mobility calculated from the FET characteristics were found to increase regularly with a decrease in NW diameter. The observed mobility and conductivity variations have been modeled by considering NW surface and core conduction paths.     

Real-time observation of impurity diffusion in silicon nanowires

Solid-state diffusion of the transition metal impurities, gold (Au), nickel (Ni), and copper (Cu), in silicon (Si) nanowires was studied by in situ transmission electron microscopy. Compared to diffusion in a bulk crystal, Au diffusion is extremely slow when the amount of metal is limited but significantly enhanced when an unlimited supply is available. Cu and Ni diffusion leads to rapid silicide formation but slows considerably with physical encapsulation by a volume-restricting carbon shell.     

Distribution of active impurities in single silicon nanowires

The distribution of electrically active B concentration in single SiNWs (nanowires) grown by a vapor-liquid-solid (VLS) process was studied by analyzing Fano resonance in Raman spectra. We found a gradient of active B concentration along the growth direction; the B concentration was the largest at the substrate side and the smallest at the catalyst side. The observed concentration gradient suggests the conformal growth of a high B concentration layer during a VLS process. To confirm this effect, we grew SiNWs with controlled impurity profiles, that is, p-type/intrinsic ( p-i) and intrinsic/ p-type ( i-p) SiNWs, by controlling the supply of B source during SiNWs growth. We found that p-i SiNWs can be grown by just stopping the supply of B source in the middle of the growth, while i-p SiNWs were not realized; that is, the whole region of nominal " i-p" SiNWs was B-doped even if we started the supply of B source in the middle of the growth. These results confirm the above doping model. We also found that the distribution of active B concentration was significantly modified by high temperature annealing. By annealing at 1100 degrees C for 1 min, B concentration became almost uniform along 10 mum long SiNWs irrespective of initial B profiles. This suggests very efficient diffusion of B atoms in a defective high B concentration surface layer of SiNWs.