arXiv subjects

Lida Ansari

Publications and source records attributed to Lida Ansari.

8 recordsLinked to original sources

arXiv2025

Tuning the Electronic States of Bi2Se3 Films with Large Spin-Orbit Interaction Using Molecular Heterojunctions

An electric bias can shift the Fermi level along the Dirac cone of a topological insulator and modify its charge transport, but tuning the electronic states and spin-orbit interaction (SOI) without destroying the surface topology is challenging. Here, we show that thin film Bi2Se3/n-p (p-n) molecular diodes form ordered interfaces where charge transfer and orbital re-hybridisation result in a decrease (increase) of the carrier density and improved mobility. In Bi2Se3 the spin-orbit lifetime, t_so, is 0.13 ps, which is comparable to the strongest spin-orbit materials. This lifetime drops further to 0.06 ps (0.09 ps) with the addition of p-n (n-p) molecular diodes, at the limit of measurable values. This strengthened spin-orbit interaction occurs even though molecules are made of light elements and increase the mean free path of the charge carriers by almost 50%, indicating changes to the Berry curvature and/or Rashba splitting around the hybridisation points. Raman spectroscopy gives evidence that the coupling effect may be controlled by optical irradiation, opening a pathway towards the design of heavy-light element hybrids with optically tunable quantum transport.

cond-mat.mtrl-sci↗

arXiv2024

Control of 2D plasmons in the topological insulator Bi2Se3 with highly crystalline C60 overlayers

Topological Insulators (TIs) present an interesting materials platform for nanoscale, high frequency devices because they support high mobility, low scattering electronic transport within confined surface states. However, a robust methodology to control the properties of surface plasmons in TIs has yet to be developed. We propose that charge transfer between Bi$_2$Se$_3$ and crystalline C$_{60}$ films may provide tunable control of the two-dimensional plasmons in Bi$_2$Se$_3$. We have grown heterostructures of Bi$_2$Se$_3$/C$_{60}$ with exceptional crystallinity. Electron energy loss spectroscopy (EELS) reveals significant hybridisation of $\pi$ states at the interface, despite the expectation for only weak van der Waals interactions, including quenching of 2D plasmons. Momentum-resolved EELS measurements are used to probe the plasmon dispersion, with Density Functional Theory predictions providing an interpretation of results based on interfacial charge dipoles. Our measurements suggest a robust methodology for tuneable TI interfaces that can be engineered for plasmonic applications in computing, communications and sensing.

cond-mat.mes-hall↗

arXiv2021

Coexistence of negative and positive photoconductivity in few-layer PtSe2 field-effect transistors

Platinum diselenide (PtSe_2) field-effect transistors with ultrathin channel regions exhibit p-type electrical conductivity that is sensitive to temperature and environmental pressure. Exposure to a supercontinuum white light source reveals that positive and negative photoconductivity coexists in the same device. The dominance of one type of photoconductivity over the other is controlled by environmental pressure. Indeed, positive photoconductivity observed in high vacuum converts to negative photoconductivity when the pressure is rised. Density functional theory calculations confirm that physisorbed oxygen molecules on the PtSe_2 surface act as acceptors. The desorption of oxygen molecules from the surface, caused by light irradiation, leads to decreased carrier concentration in the channel conductivity. The understanding of the charge transfer occurring between the physisorbed oxygen molecules and the PtSe_2 film provides an effective route for modulating the density of carriers and the optical properties of the material.

cond-mat.mtrl-sci↗

arXiv2016

Electronic and structural properties of rhombohedral [111] and [110] oriented ultra-thin bismuth nanowires

Structures and electronic properties of rhombohedral [111] and [110] 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 [111] oriented nanowires require surface bonds to be chemically saturated to avoid formation of metallic surface states whereas the surface of the [110] nanowires do not support metallic surface states. It is found that the onset of quantum confinement in the surface passivated [111] nanowires occurs at larger critical dimensions than for the [110] nanowires. For the [111] oriented nanowires it is predicted that a band gap of approximately 0.5 eV can be formed at a diameter of approximately 6 nm, whereas for the [110] 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 affinity, ionisation potentials and work functions for both orientations of the nanowires for various diameters below 5 nm. The magnitude of the energy band gaps that arise in bismuth at critical dimensions of a few nanometers are of the same order as for conventional bulk semiconductors.

cond-mat.mes-hall↗

arXiv2016

Reinventing Solid State Electronics: Harnessing Quantum Confinement in Bismuth Thin Films

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 is achieved. As miniaturization continues to ultra-scaled transistors with critical dimensions on the order of ten atomic lengths, the concept of doping to form rectifying junctions fails and heterojunction formation becomes extremely difficult. Here it is shown there is no need to introduce dopant atoms nor is the formation of a heterojunction required to achieve the fundamental electronic function of current rectification. Ideal diode behavior or rectification is achieved for the first time solely by manipulation of quantum confinement in approximately 2 nanometer thick films consisting of a single atomic element, the semimetal bismuth. Crucially for nanoelectronics, this new quantum approach enables room temperature operation.

cond-mat.mes-hall↗

arXiv2013

First Principle-based Analysis of Single-Walled Carbon Nanotube and Silicon Nanowire Junctionless Transistors

Junctionless transistors made of silicon have previously been demonstrated experimentally and by simulations. Junctionless devices do not require fabricating an abrupt source-drain junction and thus can be easier to implement in aggressive geometries. In this paper, we explore a similar architecture for aggressively scaled devices with the channel consisting of doped carbon nanotubes (CNTs). Gate all around (GAA) field effect transistor (FET) structures are investigated for n- and p-type doping. Current-voltage characteristics and sub-threshold characteristics for a CNTbased junctionless FET is compared with a junctionless silicon nanowire (SiNW) FET with comparable dimensions. Despite the higher on-current of the CNT channels, the device characteristics are poorer compared to the silicon devices due to the smaller CNT band gap.

cond-mat.mes-hall↗

arXiv2013

Transport properties and electrical device characteristics with the TiMeS computational platform: application in silicon nanowires

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-consistency affects the device characteristics more significantly than the choice of the basis set. These devices yield source-drain tunneling currents in the range of 0.5 nA (p-n-p junction) to 2 nA (p-i-p junction), implying that junctioned transistor designs at these length scales would likely fail to keep carriers out of the channel in the off-state.

cond-mat.mes-hall↗

arXiv2010

Simulations of gated Si nanowires and 3-nm junctionless transistors

Inspired by recent experimental realizations and theoretical simulations of thin silicon nanowire-based devices, we perform predictive first-principles simulations of junctionless gated Si nanowire transistors. Our primary predictions are that Si-based transistors are physically possible without major changes in design philosophy at scales of ~1 nm wire diameter and ~3 nm gate length, and that the junctionless transistor may be the only physically sensible design at these length scales. We also present investigations into atomic-level design factors such as dopant positioning and concentration.

cond-mat.mes-hall↗