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Author = Ansari, Lida;
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Displaying Results 1 - 12 of 12 on page 1 of 1
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A sub k(B)T/q semimetal nanowire field effect transistor
(2016)
Ansari, Lida; Fagas, Georgios; Gity, Farzan; Greer, James C.
A sub k(B)T/q semimetal nanowire field effect transistor
(2016)
Ansari, Lida; Fagas, Georgios; Gity, Farzan; Greer, James C.
Abstract:
The key challenge for nanoelectronics technologies is to identify the designs that work on molecular length scales, provide reduced power consumption relative to classical field effect transistors (FETs), and that can be readily integrated at low cost. To this end, a FET is introduced that relies on the quantum effects arising for semimetals patterned with critical dimensions below 5 nm, that intrinsically has lower power requirements due to its better than a "Boltzmann tyranny" limited subthreshold swing (SS) relative to classical field effect devices, eliminates the need to form heterojunctions, and mitigates against the requirement for abrupt doping profiles in the formation of nanowire tunnel FETs. This is achieved through using a nanowire comprised of a single semimetal material while providing the equivalent of a heterojunction structure based on shape engineering to avail of the quantum confinement induced semimetal-to-semiconductor transition. Ab initio calculation...
http://hdl.handle.net/10468/10649
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Doping of ultra-thin Si films: Combined first-principles calculations and experimental study
(2021)
Gity, Farzan; Meaney, Fintan; Curran, Anya; Hurley, Paul K.; Fahy, Stephen; Duffy, Ray;...
Doping of ultra-thin Si films: Combined first-principles calculations and experimental study
(2021)
Gity, Farzan; Meaney, Fintan; Curran, Anya; Hurley, Paul K.; Fahy, Stephen; Duffy, Ray; Ansari, Lida
Abstract:
This paper presents comprehensive density functional theory-based simulations to understand the characteristics of dopant atoms in the core and on the surface of ultra-thin sub-5 nm Si films. Quantum confinement-induced bandgap widening has been investigated for doped Si films considering two different doping concentrations. Thickness-dependent evolution of dopant formation energy is also extracted for the thin films. It is evident from the results that doping thinner films is more difficult and that dopant location at the surface is energetically more favorable compared to core dopants. However, the core dopant generates a higher density of states than the surface dopant. Projecting the carrier states in the doped Si film onto those of a reference intrinsic film reveals dopant-induced states above the conduction band edge, as well as perturbations of the intrinsic film states. Furthermore, to experimentally evaluate the ab initio predictions, we have produced ex situ phosphorus-dop...
http://hdl.handle.net/10468/10864
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Electronic and structural properties of rhombohedral [1 1 1] and [1 1 0] oriented ultra-thin bismuth nanowires
(2016)
Ansari, Lida; Gity, Farzan; Greer, James C.
Electronic and structural properties of rhombohedral [1 1 1] and [1 1 0] oriented ultra-thin bismuth nanowires
(2016)
Ansari, Lida; Gity, Farzan; Greer, James C.
Abstract:
Structures and electronic properties of rhombohedral [1 1 1] and [1 1 0] bismuth nanowires are calculated with the use of density functional theory. The formation of an energy band gap from quantum confinement is studied and to improve estimates for the band gap the GW approximation is applied. The [1 1 1] oriented nanowires require surface bonds to be chemically saturated to avoid formation of metallic surface states, whereas the surfaces of the [1 1 0] nanowires do not support metallic surface states. It is found that the onset of quantum confinement in the surface passivated [1 1 1] nanowires occurs at larger critical dimensions than for the [1 1 0] nanowires. For the [1 1 1] oriented nanowires it is predicted that a band gap of ~0.5 eV can be formed at a diameter of approximately 6 nm, whereas for the [1 1 0] oriented nanowires a diameter of approximately 3 nm is required to achieve a similar band gap energy. The GW correction is also applied to estimates of the electron affinit...
http://hdl.handle.net/10468/3675
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Exploring conductivity in ex-situ doped Si thin films as thickness approaches 5nm
(2019)
MacHale, John; Meaney, Fintan; Kennedy, Fintan; Eaton, Luke; Mirabelli, Gioele; White, ...
Exploring conductivity in ex-situ doped Si thin films as thickness approaches 5nm
(2019)
MacHale, John; Meaney, Fintan; Kennedy, Fintan; Eaton, Luke; Mirabelli, Gioele; White, Mary; Thomas, Kevin; Pelucchi, Emanuele; Hjorth Petersen, Dirch; Lin, Rong; Petkov, Nikolay; Connolly, James; Hatem, Chris; Gity, Farzan; Ansari, Lida; Long, Brenda; Duffy, Ray
Abstract:
Silicon (Si) has been scaled below 10 nm in multigate and silicon-on-insulator (SOI) device technologies, but clearly Si thickness cannot be reduced indefinitely, as we will run out of atoms eventually. As thickness approaches 5 nm, surfaces and interfaces will significantly impact the electrical behavior of Si, and surface physics cannot be discounted. Below that, bulk material properties will be altered considerably in the few-monolayer limit. One of the most basic defining properties of a semiconductor is its conductivity. To improve conductivity, while inducing a channel by appropriate biasing, it is necessary to define an accurate impurity doping strategy to reduce parasitic resistance. In this paper, we investigated the changing electrical conductivity of SOI films as a function of the Si thickness, in the range of 3–66 nm. SOI films were ex situ doped using three different approaches: liquid/vapor phase monolayer doping of phosphorus using allyldiphenylphosphine, gas-phase do...
http://hdl.handle.net/10468/8416
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Metal-semimetal Schottky diode relying on quantum confinement
(2018)
Gity, Farzan; Ansari, Lida; König, Christian; Verni, Giuseppe Alessio; Holmes, Justin D...
Metal-semimetal Schottky diode relying on quantum confinement
(2018)
Gity, Farzan; Ansari, Lida; König, Christian; Verni, Giuseppe Alessio; Holmes, Justin D.; Long, Brenda; Lanius, Martin; Schüffelgen, Peter; Mussler, Gregor; Grützmacher, Detlev; Greer, James C.
Abstract:
Quantum confinement in a semimetal thin film such as bismuth (Bi) can lead to a semimetal-to-semiconductor transition which allows for the use of semimetals as semiconductors when patterned at nanoscale lengths. Bi native oxide on Bi thin film grown by molecular beam epitaxy (MBE) is investigated using X-ray photoelectron spectroscopy (XPS) to measure the elemental composition of the oxide. Also, an in-situ argon plasma etch step is developed allowing for the direct coating of the surface of thin Bi films by a metal contact to form a Schottky junction. Model structures of rhombohedral [111] and [110] bismuth thin films are found from density functional theory (DFT) calculations. The electronic structure of the model thin films is investigated using a GW correction and the formation of an energy band gap due to quantum confinement is found. Electrical characterization of the fabricated Bi-metal Schottky diode confirms a band gap opening in Bi thin film for a film thickness of approxi...
http://hdl.handle.net/10468/5725
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Properties of homo- and hetero-Schottky junctions from first principle calculations
(2018)
Greer, James C.; Blom, Anders; Ansari, Lida
Properties of homo- and hetero-Schottky junctions from first principle calculations
(2018)
Greer, James C.; Blom, Anders; Ansari, Lida
Abstract:
Electronic structure calculations for a homo-material semimetal (thick Sn)/semiconductor (thin Sn) heterodimensional junction and two conventional metal (Ag or Pt)/silicon hetero-material junctions are performed. Charge distributions and local density of states are examined to compare the physics of junctions formed by quantum confinement in a homo-material, heterodimensional semimetal junction with that of conventional Schottky hetero-material junctions. Relative contributions to the Schottky barrier heights are described in terms of the interface dipoles arising due to charge transfer at the interface and the effects of metal induced gap states extending into the semiconducting regions. Although the importance of these physical mechanisms vary for the three junctions, a single framework describing the junction energetics captures the behaviors of both the heterodimensional semimetal junction and the more conventional metal/semiconductor junctions.
http://hdl.handle.net/10468/9658
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Quantum confinement-induced semimetal-to-semiconductor evolution in large-area ultra-thin PtSe2 films grown at 400 °C
(2019)
Ansari, Lida; Monaghan, Scott; McEvoy, Niall; Ó Coileáin, Cormac; Cullen, Conor P.; Lin...
Quantum confinement-induced semimetal-to-semiconductor evolution in large-area ultra-thin PtSe2 films grown at 400 °C
(2019)
Ansari, Lida; Monaghan, Scott; McEvoy, Niall; Ó Coileáin, Cormac; Cullen, Conor P.; Lin, Jun; Siris, Rita; Stimpel-Lindner, Tanja; Burke, Kevin F.; Mirabelli, Gioele; Duffy, Ray; Caruso, Enrico; Nagle, Roger E.; Duesberg, Georg S.; Hurley, Paul K.; Gity, Farzan
Abstract:
In this work, we present a comprehensive theoretical and experimental study of quantum confinement in layered platinum diselenide (PtSe2) films as a function of film thickness. Our electrical measurements, in combination with density functional theory calculations, show distinct layer-dependent semimetal-to-semiconductor evolution in PtSe2 films, and highlight the importance of including van der Waals interactions, Green’s function calibration, and screened Coulomb interactions in the determination of the thickness-dependent PtSe2 energy gap. Large-area PtSe2 films of varying thickness (2.5–6.5 nm) were formed at 400 °C by thermally assisted conversion of ultra-thin platinum films on Si/SiO2 substrates. The PtSe2 films exhibit p-type semiconducting behavior with hole mobility values up to 13 cm2/V·s. Metal-oxide-semiconductor field-effect transistors have been fabricated using the grown PtSe2 films and a gate field-controlled switching performance with an ION/IOFF ratio of >230 h...
http://hdl.handle.net/10468/8755
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Reinventing solid state electronics: harnessing quantum confinement in bismuth thin films
(2017)
Gity, Farzan; Ansari, Lida; Lanius, Martin; Schüffelgen, Peter; Mussler, Gregor; Grützm...
Reinventing solid state electronics: harnessing quantum confinement in bismuth thin films
(2017)
Gity, Farzan; Ansari, Lida; Lanius, Martin; Schüffelgen, Peter; Mussler, Gregor; Grützmacher, Detlev; Greer, James C.
Abstract:
Solid state electronics relies on the intentional introduction of impurity atoms or dopants into a semiconductor crystal and/or the formation of junctions between different materials (heterojunctions) to create rectifiers, potential barriers, and conducting pathways. With these building blocks, switching and amplification of electrical currents and voltages are achieved. As miniaturisation continues to ultra-scaled transistors with critical dimensions on the order of ten atomic lengths, the concept of doping to form junctions fails and forming heterojunctions becomes extremely difficult. Here, it is shown that it is not needed to introduce dopant atoms nor is a heterojunction required to achieve the fundamental electronic function of current rectification. Ideal diode behavior or rectification is achieved solely by manipulation of quantum confinement using approximately 2 nm thick films consisting of a single atomic element, the semimetal bismuth. Crucially for nanoelectronics, this...
http://hdl.handle.net/10468/5728
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Rhenium-doped MoS2 films
(2017)
Hallam, Toby; Monaghan, Scott; Gity, Farzan; Ansari, Lida; Schmidt, Michael; Downing, C...
Rhenium-doped MoS2 films
(2017)
Hallam, Toby; Monaghan, Scott; Gity, Farzan; Ansari, Lida; Schmidt, Michael; Downing, Clive; Cullen, Conor P.; Nicolosi, Valeria; Hurley, Paul K.; Duesberg, Georg S.
Abstract:
Tailoring the electrical properties of transition metal dichalcogenides by doping is one of the biggest challenges for the application of 2D materials in future electronic devices. Here, we report on a straightforward approach to the n-type doping of molybdenum disulfide (MoS2) films with rhenium (Re). High-Resolution Scanning Transmission Electron Microscopy and Energy-Dispersive X-ray spectroscopy are used to identify Re in interstitial and lattice sites of the MoS2 structure. Hall-effect measurements confirm the electron donating influence of Re in MoS2, while the nominally undoped films exhibit a net p-type doping. Density functional theory (DFT) modelling indicates that Re on Mo sites is the origin of the n-type doping, whereas S-vacancies have a p-type nature, providing an explanation for the p-type behaviour of nominally undoped MoS2 films.
http://hdl.handle.net/10468/5091
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Simulation of junctionless Si nanowire transistors with 3 nm gate length
(2010)
Ansari, Lida; Feldman, Baruch; Fagas, Gíorgos; Colinge, Jean-Pierre; Greer, James C.
Simulation of junctionless Si nanowire transistors with 3 nm gate length
(2010)
Ansari, Lida; Feldman, Baruch; Fagas, Gíorgos; Colinge, Jean-Pierre; Greer, James C.
Abstract:
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)
http://hdl.handle.net/10468/4336
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Strain induced effects on electronic structure of semi-metallic and semiconducting tin nanowires
(2014)
Ansari, Lida; Fagas, Gíorgos; Greer, James C.
Strain induced effects on electronic structure of semi-metallic and semiconducting tin nanowires
(2014)
Ansari, Lida; Fagas, Gíorgos; Greer, James C.
Abstract:
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....
http://hdl.handle.net/10468/3487
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Transport properties and electrical device characteristics with the TiMeS computational platform: Application in silicon nanowires
(2013)
Sharma, Dimpy; Ansari, Lida; Feldman, Baruch; Iakovidis, M.; Greer, James C.; Fagas, Gí...
Transport properties and electrical device characteristics with the TiMeS computational platform: Application in silicon nanowires
(2013)
Sharma, Dimpy; Ansari, Lida; Feldman, Baruch; Iakovidis, M.; Greer, James C.; Fagas, Gíorgos
Abstract:
Nanoelectronics requires the development of a priori technology evaluation for materials and device design that takes into account quantum physical effects and the explicit chemical nature at the atomic scale. Here, we present a cross-platform quantum transport computation tool. Using first-principles electronic structure, it allows for flexible and efficient calculations of materials transport properties and realistic device simulations to extract current-voltage and transfer characteristics. We apply this computational method to the calculation of the mean free path in silicon nanowires with dopant and surface oxygen impurities. The dependence of transport on basis set is established, with the optimized double zeta polarized basis giving a reasonable compromise between converged results and efficiency. The current-voltage characteristics of ultrascaled (3 nm length) nanowire-based transistors with p-i-p and p-n-p doping profiles are also investigated. It is found that charge self-...
http://hdl.handle.net/10468/4725
Displaying Results 1 - 12 of 12 on page 1 of 1
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