Electrical performance of III-V gate-all-around nanowire transistors

The performance of III-V inversion-mode and junctionless nanowire field-effect transistors are investigated using quantum simulations and are compared with those of silicon devices. We show that at ultrascaled dimensions silicon can offer better electrical performance in terms of short-channel effects and drive current than other materials. This is explained simply by suppression of source-drain tunneling due to the higher effective mass, shorter natural length, and the higher density of states in the confined channel. We also confirm that III-V junctionless nanowire transistors are more immune to short-channel effects than conventional inversion-mode III-V nanowire field-effect transistors. (C) 2013 AIP Publishing LLC

Surface orientation effects in crystalline-amorphous silicon interfaces

In this paper we present the results of empirical potential and density functional theory (DFT) studies of models of interfaces between amorphous silicon (a-Si) or hydrogenated amorphous Si (a-Si:H) and crystalline Si (c-Si) on three unreconstructed silicon surfaces, namely (100), (110) and (111). In preparing models of a-Si on c-Si, melting simulations are run with classical molecular dynamics (MD) at 3000 K for 10 ps to melt part of the crystalline surface and the structure is quenched to 300 K using a quench rate of 6 x 10(12) K s(-1) and finally relaxed with DFT. Incorporating the optimum hydrogen content in a-Si to passivate undercoordinated Si, followed by DFT relaxation, produces hydrogenated amorphous silicon on crystalline surfaces, a-Si:H/c-Si. The (100) surface is the least stable crystalline surface and forms the thickest amorphous Si region, while the most stable (110) surface forms the smallest amorphous region. Calculated radial distribution functions (RDF) in the amorphous and crystalline layers are consistent with a-Si and c-Si and indicate a structural interface region one layer thick. The electronic density of states shows an evolution from c-Si to a-Si (or a-Si:H), with a larger electronic interface layer, suggesting that the electronic properties are more strongly perturbed by interface formation compared to the atomic structure. The computed optical absorption spectra show strong effects arising from the formation of different a-Si and a-Si:H regions in different Si surfaces

A first principles analysis of the effect of hydrogen concentration in hydrogenated amorphous silicon on the formation of strained Si-Si bonds and the optical and mobility gaps

In this paper, we use a model of hydrogenated amorphous silicon generated from molecular dynamics with density functional theory calculations to examine how the atomic geometry and the optical and mobility gaps are influenced by mild hydrogen oversaturation. The optical and mobility gaps show a volcano curve as the hydrogen content varies from undersaturation to mild oversaturation, with largest gaps obtained at the saturation hydrogen concentration. At the same time, mid-gap states associated with dangling bonds and strained Si-Si bonds disappear at saturation but reappear at mild oversaturation, which is consistent with the evolution of optical gap. The distribution of Si-Si bond distances provides the key to the change in electronic properties. In the undersaturation regime, the new electronic states in the gap arise from the presence of dangling bonds and strained Si-Si bonds, which are longer than the equilibrium Si-Si distance. Increasing hydrogen concentration up to saturation reduces the strained bonds and removes dangling bonds. In the case of mild oversaturation, the mid-gap states arise exclusively from an increase in the density of strained Si-Si bonds. Analysis of our structure shows that the extra hydrogen atoms form a bridge between neighbouring silicon atoms, thus increasing the Si-Si distance and increasing disorder in the sample

Binary functionalization of H:Si(111) surfaces by alkyl monolayers with different linker atoms enhances monolayer stability and packing

lkyl monolayer modified Si forms a class of inorganic-organic hybrid materials with applications across many technologies such as thin-films, fuel/solar-cells and biosensors. Previous studies have shown that the linker atom, through which the monolayer binds to the Si substrate, and any tail group in the alkyl chain, can tune the monolayer stability and electronic properties. In this paper we study the H:Si(111) surface functionalized with binary SAMs: these are composed of alkyl chains that are linked to the surface by two different linker groups. Aiming to enhance SAM stability and increase coverage over singly functionalized Si, we examine with density functional theory simulations that incorporate vdW interactions, a range of linker groups which we denote as –X–(alkyl) with X = CH2, O(H), S(H) or NH(2) (alkyl = C6 and C12 chains). We show how the stability of the SAM can be enhanced by adsorbing alkyl chains with two different linkers, e.g. Si–[C,NH]–alkyl, through which the adsorption energy is increased compared to functionalization with the individual –X–alkyl chains. Our results show that it is possible to improve stability and optimum coverage of alkyl functionalized SAMs linked through a direct Si–C bond by incorporating alkyl chains linked to Si through a different linker group, while preserving the interface electronic structure that determines key electronic properties. This is important since any enhancement in stability and coverage to give more densely packed monolayers will result in fewer defects. We also show that the work function can be tuned within the interval of 3.65 - 4.94 eV (4.55 eV for bare H:Si(111))

Strain induced effects on electronic structure of semi-metallic and semiconducting tin nanowires

Semimetal nanowires are known to undergo a semimetal to semiconductor transition as a consequence of quantum confinement as their diameters are decreased. Using density functional theory calculations, the electronic structure of tin nanowires (SnNWs) under uniaxial strain within a range of 4% to þ4% is investigated. It is demonstrated that a [110]-oriented semi-metallic SnNW with a diameter of 4.2 nm can be made either more metallic or semiconducting by the application of tensile or compressive strain, respectively. On the contrary, a [100]-oriented semimetallic SnNW with a slightly larger diameter of 4.5 nm remains semiconducting with the application of either compressive or tensile strain. Carrier effective masses are calculated from the band structures; it is shown that for semimetal SnNW along [110] orientation the conduction and valence bands display near linear dispersion under both compressive and tensile strains (<3%) which leads to very small effective masses of 0.007m0. We also show that strain energies and Young modulus vary with nanowire diameter and crystal orientation. The effect of alloying on the generation of tensile and compressive strains in SnNWs is also investigated

Modifying the band gap and optical properties of Germanium nanowires by surface termination

Semiconductor nanowires, based on silicon (Si) or germanium (Ge) are leading candidates for many ICT applications, including next generation transistors, optoelectronics, gas and biosensing and photovoltaics. Key to these applications is the possibility to tune the band gap by changing the diameter of the nanowire. Ge nanowires of different diameter have been studied with H termination, but, using ideas from chemistry, changing the surface terminating group can be used to modulate the band gap. In this paper we apply the generalised gradient approximation of density functional theory (GGA-DFT) and hybrid DFT to study the effect of diameter and surface termination using –H, –NH2 and –OH groups on the band gap of (001), (110) and (111) oriented germanium nanowires. We show that the surface terminating group allows both the magnitude and the nature of the band gap to be changed. We further show that the absorption edge shifts to longer wavelength with the –NH2 and –OH terminations compared to the –H termination and we trace the origin of this effect to valence band modifications upon modifying the nanowire with –NH2 or –OH. These results show that it is possible to tune the band gap of small diameter Ge nanowires over a range of ca. 1.1 eV by simple surface chemistry

Simulation of junctionless Si nanowire transistors with 3 nm gate length

Inspired by recent experimental realizations and theoretical simulations of thin silicon nanowire-based devices, we perform proof-of-concept simulations of junctionless gated Si nanowire transistors. Based on first-principles, our primary predictions are that Si-based transistors are physically possible without major changes in design philosophy at scales of similar to 1 nm wire diameter and similar to 3 nm gate length, and that the junctionless transistor avoids potentially serious difficulties affecting junctioned channels at these length scales. We also present investigations into atomic-level design factors such as dopant positioning and concentration. (C) 2010 American Institute of Physics. (doi:10.1063/1.3478012

A miniaturised autonomous sensor based on nanowire materials platform: the SiNAPS mote

A micro-power energy harvesting system based on core(crystalline Si)-shell(amorphous Si) nanowire solar cells together with a nanowire-modified CMOS sensing platform have been developed to be used in a dust-sized autonomous chemical sensor node. The mote (SiNAPS) is augmented by low-power electronics for power management and sensor interfacing, on a chip area of 0.25mm2. Direct charging of the target battery (e.g., NiMH microbattery) is achieved with end-to-end efficiencies up to 90% at AM1.5 illumination and 80% under 100 times reduced intensity. This requires matching the voltages of the photovoltaic module and the battery circumventing maximum power point tracking. Single solar cells show efficiencies up to 10% under AM1.5 illumination and open circuit voltages, Voc, of 450-500mV. To match the battery’s voltage the miniaturised solar cells (~1mm2 area) are connected in series via wire bonding. The chemical sensor platform (mm2 area) is set up to detect hydrogen gas concentration in the low ppm range and over a broad temperature range using a low power sensing interface circuit. Using Telran TZ1053 radio to send one sample measurement of both temperature and H2 concentration every 15 seconds, the average and active power consumption for the SiNAPS mote are less than 350nW and 2.1 μW respectively. Low-power miniaturised chemical sensors of liquid analytes through microfluidic delivery to silicon nanowires are also presented. These components demonstrate the potential of further miniaturization and application of sensor nodes beyond the typical physical sensors, and are enabled by the nanowire materials platform

Strain induced effects on electronic structure of semi-metallic and semiconducting tin nanowires

Semimetal nanowires are known to undergo a semimetal to semiconductor transition as a consequence of quantum confinement as their diameters are decreased. Using density functional theory calculations, the electronic structure of tin nanowires (SnNWs) under uniaxial strain within a range of 4% to þ4% is investigated. It is demonstrated that a [110]-oriented semi-metallic SnNW with a diameter of 4.2 nm can be made either more metallic or semiconducting by the application of tensile or compressive strain, respectively. On the contrary, a [100]-oriented semimetallic SnNW with a slightly larger diameter of 4.5 nm remains semiconducting with the application of either compressive or tensile strain. Carrier effective masses are calculated from the band structures; it is shown that for semimetal SnNW along [110] orientation the conduction and valence bands display near linear dispersion under both compressive and tensile strains (<3%) which leads to very small effective masses of 0.007m0. We also show that strain energies and Young modulus vary with nanowire diameter and crystal orientation. The effect of alloying on the generation of tensile and compressive strains in SnNWs is also investigated

Influence of channel material properties on performance of nanowire transistors

The performance of germanium and silicon inversion-mode and junctionless nanowire field-effect transistors are investigated using three-dimensional quantum mechanical simulations in the ballistic transport regime and within the framework of effective-mass theory for different channel materials and orientations. Our study shows that junctionless nanowire transistors made using n-type Ge or Si nanowires as a channel material are more immune to short-channel effects than conventional inversion-mode nanowire field-effect transistors. As a result, these transistors present smaller subthreshold swing, less drain-induced barrier-lowering, lower source-to-drain tunneling, and higher I-on/I-off ratio for the same technology node and low standby power technologies. We also show that the short-channel characteristics of Ge and Si junctionless nanowire transistors, unlike the inversion-mode nanowire transistors, are very similar. The results are explained through a detailed analysis on the effect of the channel crystallographic orientation, effective masses, and dielectric constant on electrical characteristics. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4729777