Paola Gori

Infrared absorbance of silicene and germanene

Calculating the complex dielectric function for optical interband transitions we show that the two-dimensional crystals silicene and germanene possess the same low-frequency absorbance as graphene. It is determined by the Sommerfeld finestructure constant. Deviations occur for higher frequencies when the first interband transitions outside K or K′ contribute. The low-frequency results are a consequence of the honeycomb geometry but do not depend on the group-IV atom, the sheet buckling, and the orbital hybridization. The two-dimensional crystals may be useful as absorption normals in silicon technology.

Strong excitons in novel two-dimensional crystals: Silicane and germanane

We show by first-principles calculations that, due to depressed screening and enhanced two-dimensional confinement, excitonic resonances with giant oscillator strength appear in hydrogenated Si and Ge layers, which qualitatively and quantitatively differ from those of graphane. Their large exciton binding energies and oscillator strengths make them promising for observation of novel physical effects and application in optoelectronic devices on the nanoscale.

Optimization of wide-band linear arrays

An optimization method is proposed for linear arrays to be used in ultrasound systems under wide-band operation. A fast algorithm, the threshold accepting, has been utilized to determine the element positions and weight coefficients of a linear array that generates a desired beam pattern. To reduce the computational burden in the optimization procedure, an efficient numerical routine for the beam pattern evaluation has been implemented. We address the optimization problem of both dense and sparse wideband arrays. In the first case, the goal is to minimize the side-lobe energy by varying the element weights; we compare the optimized beam pattern with that obtained with classical shading functions, showing that better results can be achieved with a wide-band optimization. We also consider the optimization of the layout (positions and weights) of a sparse linear array to achieve a desired beam pattern with a fixed or minimum number of array elements. The comparison of the proposed method with a narrow-band optimization algorithm is presented, showing that better performances (about -7 dB further reduction of the side-lobe level) can be achieved with a wide-band sparse array optimization. Further numerical simulations are given, showing that the proposed method yields better results than wideband sparse random arrays and periodic arrays with the same aperture width.

Origin of Dirac-cone-like features in silicon structures on Ag(111) and Ag(110)

The recently reported synthesis of silicene in the form of nanoribbons on Ag(110) or 2D epitaxial sheets on Ag(111) aroused considerable interest in the scientific community. Both overlayers were reported to display signatures of Dirac fermions with linearly dispersing electronic bands. In this work, we study the electronic structure of these adsorbate systems within density functional theory. We show that the conical features apparent in angle-resolved photoelectron spectroscopy measurements are not due to silicon but to the silver substrate, as an effect of band folding induced by the Si overlayer periodicity.

Side-dependent electron escape from graphene- and graphane-like SiC layers

The structural and electronic properties of SiC-based two-dimensional (2D) crystals are studied by means of density functional theory and many-body perturbation theory. Such properties cannot simply be interpolated between graphene and silicene. The replacement of half of the C atoms by Si atoms opens a large direct electronic gap and destroys the Dirac cones. Hydrogenation further opens the gap and significantly reduces the electron affinity to 0.1 or 1.8 eV in dependence on the carbon or silicon termination of the 2D crystal surface, thus showing a unique direction dependent ionization potential. This suggests the use of 2D-SiC:H as electron or hole filter.

Chirality Transfer from a Single Chiral Molecule to 2D Superstructures in Alaninol on the Cu(100) Surface

The formation of 2D chiral monolayers obtained by self-assembly of chiral molecules on surfaces has been widely reported in the literature. Control of chirality transfer from a single molecule to surface superstructures is a challenging and important aspect for tailoring the properties of 2D nanostructures. However, despite the wealth of investigations performed in recent years, how chiral transfer takes place on a large scale still remains an open question. In this paper we report a coupling of scanning tunneling microscopy and low energy electron diffraction measurements with an original theoretical approach, combining molecular dynamics and essential dynamics with density functional theory, to investigate self-assembled chiral structures formed when alaninol adsorbs on Cu(100). The peculiarity of this system is related to the formation of tetrameric molecular structures which constitute the building blocks of the self-assembled chiral monolayer. Such characteristics make alaninol/Cu(100) a good candidate to reveal chiral expression changes. We find that the deposition of alaninol enantiomers results in the formation of isolated tetramers that are aligned along the directions of the substrate at low coverage or when geometrical confinement prevents long-range order. Conversely, a rotation of 14° with respect to the Cu(100) unit vectors is observed when small clusters of tetramers are formed. An insight to the process leading to a 2D globally chiral surface has been obtained by monitoring molecular assemblies as they grow from the early stages of adsorption, suggesting that the distinctive orientation of the self-assembled monolayer originates from a balance of cooperating forces which start acting only when tetramers pack together to form small clusters.

Spatial filters for focusing ultrasound images

Traditionally focusing is done by taking out one sample in the received signal from each transducer element and then sum these signals. This method does not take into account the temporal or spatial spread of the received signal from a point scatterer and does not make an optimal focus of the data. A new method for making spatial matched filter focusing of RF ultrasound data is proposed based on the spatial impulse response description of the imaging. The response from a scatterer at any given point in space relative to the transducer can be calculated, and this gives the spatial matched filter for beamforming the received RF signals from the individual transducer elements. The matched filter is applied on RF signals from individual transducer elements, thus properly taking into account the spatial spread of the received signal. The method can be applied to any transducer and can also be used for synthetic aperture imaging for single element transducers. It is evaluated using the Field II program. Data from a single 3 MHz transducer focused at a distance of 80 mm is processed. Far from the transducer focal region, the processing greatly improves the image resolution: the lateral slice of the autocovariance function of the image shows a -6 dB width reduction by a factor of 3.3 at 20 mm and by a factor of 1.8 at 30 mm. Other simulations use a 64 elements, 3 MHz, linear array. Different receiving conditions are compared and this shows that the effect of the filter is progressively lower, but the approach always yields point spread functions better or equal to a traditional dynamically focused image. Finally, the process was applied to in-vivo clinical images of the liver and right kidney from a 28 years old male. The data was obtained with a single element transducer focused at 100 mm. The improvement in resolution was in this case less evident and further optimization is needed.

Efficient transmit beamforming in pulse-echo ultrasonic imaging

A high performance ultrasound imaging system requires accurate control of the amplitude of the array elements, as well as of the time delays between them, both in the transmit and receive modes. In transmission, conventional array aperture windowing implies a different driving voltage for each element of the array, an expensive solution for systems with a large number of channels. In this paper, we present a simple, versatile, and inexpensive beamforming method that operates the aperture windowing in the transmit mode, simply controlling the lengths of the electric pulses driving the array elements. Computer simulations and experimental measurements are presented for different types of arrays. They confirm that the proposed beamforming technique improves the contrast resolution of the imaging system, reducing the off-axis intensity of the radiated field pattern. Moreover, the axial resolution is slightly enhanced, because the overall length of the transmitted ultrasonic pulse is reduced.

Radiation pattern distortion caused by the interelement coupling in linear array transducers

It is well known that the performances of the acoustic imaging arrays are degraded by the interelement coupling. In this work the effect on the radiation pattern of the array of the cross-coupling due to the filling material is investigated. A hybrid experimental-numerical technique is used. We built an array with three different filling materials, without matching layers, and using a classical backing material. On every piezoelectric element we built in a probe of small dimensions, in order to capture the waveform on its emitting surfaces. The cross-coupling waveforms were recorded for the three groups of elements when: only the central element of the group was driven; all the elements were driven with the same pulse applied at the same time; the array was driven by an echo-graph. Fourier transforming the temporal signals, the cross-coupling transfer function of each element was computed and the radiation pattern simulated by means of a numerical model based on the Rayleigh-Sommerfeld integral. A comparison among the radiation patterns for all the groups of elements, for the above mentioned excitations is presented.

Tunable electronic properties of two-dimensional nitrides for light harvesting heterostructures

We study the electronic properties of two-dimensional (2D) group-III nitrides BN, AlN, GaN, InN, and TlN by first-principles approaches. With increasing group-III atomic number, a decrease of the electronic gap from 6.7 eV to 0 eV takes place. 2D GaN and 2D InN in honeycomb geometry present a direct gap at Γ, while the honeycomb structures of BN and AlN tend to be indirect semiconductors with the valence band maximum at K. Alloying of the nitrides allows tuning the gap with cation composition. Interestingly, Inx Ga1−xN and Inx Tl1−xN alloys enable, with varying x, to construct type I or type II heterostructures. We demonstrate that it is possible to tailor the electronic and optical response from UV to IR. We suggest that 2D InGaN and InTlN heterostructures may efficiently harvest light and serve as building blocks for a future generation of III–V solar cells. Finally, 2D InTlN with a low In content is eligible as the emitter and detector for THz applications.