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Register a new userOptical absorption of silicon nanowires
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Added by
Christophe Krzeminski
Publication date
2012
fields
Physics
and research's language is
English
Authors
Tao Xu
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We report on simulations and measurements of the optical absorption of silicon nanowires (NWs) versus their diameter. We first address the simulation of the optical absorption based on two different theoretical methods : the first one, based on the Green function formalism, is useful to calculate the scattering and absorption properties of a single or a finite set of NWs. The second one, based on the Finite Difference Time Domain (FDTD) method is well-adapted to deal with a periodic set of NWs. In both cases, an increase of the onset energy for the absorption is found with increasing diameter. Such effect is experimentally illustrated, when photoconductivity measurements are performed on single tapered Si nanowires connected between a set of several electrodes. An increase of the nanowire diameter reveals a spectral shift of the photocurrent intensity peak towards lower photon energies, that allows to tune the absorption onset from the ultraviolet radiations to the visible light spectrum.
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From first-principles calculations, we predict that transition metal (TM) atom doped silicon nanowires have a half-metallic ground state. They are insulators for one spin-direction, but show metallic properties for the opposite spin direction. At high coverage of TM atoms, ferromagnetic silicon nanowires become metallic for both spin-directions with high magnetic moment and may have also significant spin-polarization at the Fermi level. The spin-dependent electronic properties can be engineered by changing the type of dopant TM atoms, as well as the diameter of the nanowire. Present results are not only of scientific interest, but can also initiate new research on spintronic applications of silicon nanowires.
Hyperdoping consists of the intentional introduction of deep-level dopants into a semiconductor in excess of equilibrium concentrations. This causes a broadening of dopant energy levels into an intermediate band between the valence and conduction bands.[1,2] Recently, bulk Si hyperdoped with chalcogens or transition metals has been demonstrated to be an appropriate intermediate-band material for Si-based short-wavelength infrared photodetectors.[3-5] Intermediate-band nanowires could potentially be used instead of bulk materials to overcome the Shockley-Queisser limit and to improve efficiency in solar cells,[6-9] but fundamental scientific questions in hyperdoping Si nanowires require experimental verification. The development of a method for obtaining controlled hyperdoping levels at the nanoscale concomitant with the electrical activation of dopants is, therefore, vital to understanding these issues. Here, we show a CMOS-compatible technique based on non-equilibrium processing for the controlled doping of Si at the nanoscale with dopant concentrations several orders of magnitude greater than the equilibrium solid solubility. Through the nanoscale spatially controlled implantation of dopants, and a bottom-up template-assisted solid phase recrystallization of the nanowires with the use of millisecond-flash lamp annealing, we form Se-hyperdoped Si/SiO2 core/shell nanowires that have a room-temperature sub-band gap optoelectronic photoresponse when configured as a photoconductor device.
Core-shell nanowires made of Si and Ge can be grown experimentally with excellent control for different sizes of both core and shell. We have studied the structural properties of Si/Ge and Ge/Si core-shell nanowires aligned along the $[110]$ direction, with diameters up to 10.2~nm and varying core to shell ratios, using linear scaling Density Functional Theory (DFT). We show that Vegards law, which is often used to predict the axial lattice constant, can lead to an error of up to 1%, underlining the need for a detailed emph{ab initio} atomistic treatment of the nanowire structure. We analyse the character of the intrinsic strain distribution and show that, regardless of the composition or bond direction, the Si core or shell always expands. In contrast, the strain patterns in the Ge shell or core are highly sensitive to the location, composition and bond direction. The highest strains are found at heterojunction interfaces and the surfaces of the nanowires. This detailed understanding of the atomistic structure and strain paves the way for studies of the electronic properties of core-shell nanowires and investigations of doping and structure defects.
We realize growth of self-catalyzed core-shell GaAs/GaAsP nanowires (NWs) on Si substrates using molecular-beam epitaxy. Transmission electron microscopy (TEM) of single GaAs/GaAsP NWs confirms their high crystal quality and shows domination of the zinc-blende phase. This is further confirmed in optics of single NWs, studied using cw and time-resolved photoluminescence (PL). A detailed comparison with uncapped GaAs NWs emphasizes the effect of the GaAsP capping in suppressing the non-radiative surface states: significant PL enhancement in the core-shell structures exceeding 2000 times at 10K is observed; in uncapped NWs PL is quenched at 60K whereas single core-shell GaAs/GaAsP NWs exhibit bright emission even at room temperature. From analysis of the PL temperature dependence in both types of NW we are able to determine the main carrier escape mechanisms leading to the PL quench.
The thermal conductivity of silicon nanowires (SiNWs) is investigated by molecular dynamics (MD) simulation. It is found that the thermal conductivity of SiNWs can be reduced exponentially by isotopic defects at room temperature. The thermal conductivity reaches the minimum, which is about 27% of that of pure 28Si NW, when doped with fifty percent isotope atoms. The thermal conductivity of isotopic-superlattice structured SiNWs depends clearly on the period of superlattice. At a critical period of 1.09 nm, the thermal conductivity is only 25% of the value of pure Si NW. An anomalous enhancement of thermal conductivity is observed when the superlattice period is smaller than this critical length. The ultra-low thermal conductivity of superlattice structured SiNWs is explained with phonon spectrum theory.
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