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Register a new userBandstructure Effects in Silicon Nanowire Electron Transport
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Added by
Neophytos Neophytou
Publication date
2008
fields
Physics
and research's language is
English
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Bandstructure effects in the electronic transport of strongly quantized silicon nanowire field-effect-transistors (FET) in various transport orientations are examined. A 10-band sp3d5s* semi-empirical atomistic tight-binding model coupled to a self consistent Poisson solver is used for the dispersion calculation. A semi-classical, ballistic FET model is used to evaluate the current-voltage characteristics. It is found that the total gate capacitance is degraded from the oxide capacitance value by 30% for wires in all the considered transport orientations ([100], [110], [111]). Different wire directions primarily influence the carrier velocities, which mainly determine the relative performance differences, while the total charge difference is weakly affected. The velocities depend on the effective mass and degeneracy of the dispersions. The [110] and secondly the [100] oriented 3nm thick nanowires examined, indicate the best ON-current performance compared to [111] wires. The dispersion features are strong functions of quantization. Effects such as valley splitting can lift the degeneracies especially for wires with cross section sides below 3nm. The effective masses also change significantly with quantization, and change differently for different transport orientations. For the cases of [100] and [111] wires the masses increase with quantization, however, in the [110] case, the mass decreases. The mass variations can be explained from the non-parabolicities and anisotropies that reside in the first Brillouin zone of silicon.
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Bandstructure effects in PMOS transport of strongly quantized silicon nanowire field-effect-transistors (FET) in various transport orientations are examined. A 20-band sp3d5s* spin-orbit-coupled (SO) atomistic tight-binding model coupled to a self consistent Poisson solver is used for the valence band dispersion calculation. A ballistic FET model is used to evaluate the capacitance and current-voltage characteristics. The dispersion shapes and curvatures are strong functions of device size, lattice orientation, and bias, and cannot be described within the effective mass approximation. The anisotropy of the confinement mass in the different quantization directions can cause the charge to preferably accumulate in the (110) and secondly on the (112) rather than (100) surfaces, leading to significant charge distributions for different wire orientations. The total gate capacitance of the nanowire FET devices is, however, very similar for all wires in all the transport orientations investigated ([100], [110], [111]), and is degraded from the oxide capacitance by ~30%. The [111] and secondly the [110] oriented nanowires indicate highest carrier velocities and better ON-current performance compared to [100] wires. The dispersion features and quantization behavior, although a complicated function of physical and electrostatic confinement, can be explained at first order by looking at the anisotropic shape of the heavy-hole valence band.
Band gap modification for small-diameter (1 nm) silicon nanowires resulting from the use of different species for surface termination is investigated by density functional theory calculations. Because of quantum confinement, small-diameter wires exhibit a direct band gap that increases as the wire diameter narrows, irrespective of surface termination. This effect has been observed in previous experimental and theoretical studies for hydrogenated wires. For a fixed cross-section, the functional group used to saturate the silicon surface significantly modifies the band gap, resulting in relative energy shifts of up to an electronvolt. The band gap shifts are traced to details of the hybridization between the silicon valence band and the frontier orbitals of the terminating group, which is in competition with quantum confinement.
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