arXiv subjects

Giorgos Fagas

Publications and source records attributed to Giorgos Fagas.

15 recordsLinked to original sources

arXiv2024

High fidelity TiN processing modes for multi-gate Ge-based quantum devices

Charge or spin-qubits can be realized by using gate-defined quantum dots (QDs) in semiconductors in a similar fashion to the processes used in CMOS for conventional field-effect transistors or more recent fin FET technology. However, to realize larger number of gate-defined qubits, multiples of gates with ultimately high resolution and fidelity is required. Electron beam lithography (EBL) offers flexible and tunable patterning of gate-defined spin-qubit devices for studying important quantum phenomena. While such devices are commonly realized by a positive resist process using metal lift-off, there are several clear limitations related to the resolution and the fidelity of patterning. Herein, we report a systematic study of an alternative TiN multi-gates definition approach based on the highest resolution hydrogen silsesquioxane (HSQ) EBL resist and all associated processing modes. The TiN gate arrays formed show excellent fidelity, dimensions down to 15 nm, various densities, and complexities. The processing modes developed were used to demonstrate applicability of this approach to forming multi-gate architectures for two types of spin-qubit devices prototypic to i) NW/fin-type FETs and ii) planar quantum well-type devices, both utilizing epi-grown Ge device layers on Si, where GeSn or Ge are the host materials for the QDs.

cond-mat.mes-hall↗

arXiv2021

Top-Gated Carbon Nanotube FETs from Quantum Simulations: Comparison with Experiments

We present quantum simulations of carbon nanotube field-effect transistors (CNT-FETs) based on top-gated architectures and compare to electrical characterization on devices with 15 nm channel lengths. A non-equilibrium Green's function (NEGF) quantum transport method coupled with a $\vec{k} \cdot \vec{p}$ description of the electronic structure is demonstrated to achieve excellent agreement with the reported experimental data. Factors influencing the electrostatic control of the channel are investigated and reveal that detailed modeling of the electrostatics and the electronic band structure of the CNT is required to achieve quantitative agreement with experiment.

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↗

arXiv2010

Silicon nanowire band gap modification

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.

cond-mat.mtrl-sci↗

arXiv2010

Ballistic Conductance in Oxidized Si Nanowires

The influence of local oxidation in silicon nanowires on hole transport, and hence the effect of varying the oxidation state of silicon atoms at the wire surface, is studied using density functional theory in conjunction with a Green's function scattering method. For silicon nanowires with growth direction along [110] and diameters of a few nanometers, it is found that the introduction of oxygen bridging and back bonds does not significantly degrade hole transport for voltages up to several hundred millivolts relative to the valence band edge. As a result, the mean free paths are comparable to or longer than the wire lengths envisioned for transistor and other nanoelectronics applications. Transport along [100]-oriented nanowires is less favorable, thus providing an advantage in terms of hole mobilities for [110] nanowire orientations, as preferentially produced in some growth methods.

cond-mat.mtrl-sci↗

arXiv2010

Effective-mass model of surface scattering in locally oxidized Si nanowires

We present a simple model to describe the lowest-subbands surface scattering in locally oxidized silicon nanowires grown in the [110] direction. To this end, we employ an atomistically scaled effective mass model projected from a three-dimensional effective mass equation and apply a quantum transport formalism to calculate the conductance for typical potential profiles. Comparison of our results with hole-transport calculations using atomistic models in conjunction with density functional theory (DFT) points to an intra-subband scattering mechanism from a potential well.

cond-mat.mtrl-sci↗

arXiv2007

Magnetically controlled current flow in coupled-dot arrays

Quantum transport through an open periodic array of up to five dots is investigated in the presence of a magnetic field. The device spectrum exhibits clear features of the band structure of the corresponding one-dimensional artificial crystal which evolves with varying field. A significant magnetically controlled current flow is induced with changes up to many orders of magnitude depending on temperature and material parameters. Our results put forward a simple design for measuring with current technology the magnetic subband formation of quasi one-dimensional Bloch electrons.

cond-mat.mes-hall↗

arXiv2007

Tunnelling in alkanes anchored to gold electrodes via amine end groups

For investigation of electron transport on the nanoscale, a system possessing a simple to interpret electronic structure is composed of alkane chains bridging two electrodes via end groups; to date the majority of experiments and theoretical investigations on such structures have considered thiols bonding to gold electrodes. Recently experiments show that well defined molecular conductances may be resolved if the thiol end groups are replaced by amines. In this theoretical study, we investigate the bonding of amine groups to gold clusters and calculate electron transport across the resulting tunnel junctions. We find very good agreement with recent experiments for alkane diamines and discuss differences with respect to the alkane dithiol system.

cond-mat.mtrl-sci↗

arXiv2006

Determination of complex absorbing potentials from the electron self-energy

The electronic conductance of a molecule making contact to electrodes is determined by the coupling of discrete molecular states to the continuum electrode density of states. Interactions between bound states and continua can be modeled exactly by using the (energy-dependent) self-energy, or approximately by using a complex potential. We discuss the relation between the two approaches and give a prescription for using the self-energy to construct an energy-independent, non-local, complex potential. We apply our scheme to studying single-electron transmission in an atomic chain, obtaining excellent agreement with the exact result. Our approach allows us to treat electron-reservoir couplings independent of single electron energies, allowing for the definition of a one-body operator suitable for inclusion into correlated electron transport calculations.

cond-mat.other↗

arXiv2006

Independent particle descriptions of tunneling from a many-body perspective

Currents across thin insulators are commonly taken as single electrons moving across classically forbidden regions; this independent particle picture is well-known to describe most tunneling phenomena. Examining quantum transport from a different perspective, i.e., by explicit treatment of electron-electron interactions, we evaluate different single particle approximations with specific application to tunneling in metal-molecule-metal junctions. We find maximizing the overlap of a Slater determinant composed of single particle states to the many-body current-carrying state is more important than energy minimization for defining single particle approximations in a system with open boundary conditions. Thus the most suitable single particle effective potential is not one commonly in use by electronic structure methods, such as the Hartree-Fock or Kohn-Sham approximations.

cond-mat.mtrl-sci↗

arXiv2005

Geometrical enhancement of the proximity effect in quantum wires with extended superconducting tunnel contacts

We study Andreev reflection in a ballistic one-dimensional channel coupled in parallel to a superconductor via a tunnel barrier of finite length $L$. The dependence of the low-energy Andreev reflection probability $R_A$ on $L$ reveals the existence of a characteristic length scale $ξ_N$ beyond which $R_A(L)$ is enhanced up to unity despite the low interfacial transparency. The Andreev reflection enhancement is due to the strong mixing of particle and hole states that builds up in contacts exceeding the coherence length $ξ_N$, leading to a small energy gap (minigap) in the density of states of the normal system. The role of the geometry of such hybrid contacts is discussed in the context of the experimental observation of zero-bias Andreev anomalies in the resistance of extended carbon nanotube/superconductor junctions in field effect transistor setups.

cond-mat.mes-hall↗

arXiv2004

Conductance Properties of Carbon-Based Molecular Junctions

We present a comprehensive study of the properties of the off-resonant conductance spectrum in oligomer nanojunctions between graphitic electrodes. By employing first-principle-based methods and the Landauer approach of quantum transport, we identify how the electronic structure of the molecular junction components is reflected in electron transport across such systems. For virtually all energies within the conduction gap of the corresponding idealised polymer chain, we show that: a) the inverse decay length of the tunnelling conductance is intrinsically defined by the complex-band structure of the molecular wire despite ultrashort oligomer lengths of few monomer units, and b) the contact conductance crucially depends on both the local density of states on the metal side and the realised interfacial contact.

cond-mat.mes-hall↗

arXiv2004

Complex-band structure: a method to determine the off-resonant electron transport in oligomers

We validate that off-resonant electron transport across {\it ultra-short} oligomer molecular junctions is characterised by a conductance which decays exponentially with length, and we discuss a method to determine the damping factor via the energy spectrum of a periodic structure as a function of complex wavevector. An exact mapping to the complex wavevector is demonstrated by first-principle-based calculations of: a) the conductance of molecular junctions of phenyl-ethynylene wires covalently bonded to graphitic ribbons as a function of the bridge length, and b) the complex-band structure of poly-phenyl-ethynylene.

cond-mat.mtrl-sci↗