arXiv subjects

Avik W. Ghosh

Publications and source records attributed to Avik W. Ghosh.

84 records · Page 5Linked to original sources

arXiv2009

Coupling optical and electrical gating for electronic read-out of quantum dot dynamics

We explore the coherent transfer of electronic signatures from a strongly correlated, optically gated nanoscale quantum dot to a weakly interacting, electrically backgated microscale channel. In this unique side-coupled `T' geometry for transport, we predict a novel mechanism for detecting Rabi oscillations induced in the dot through quantum, rather than electrostatic means. This detection shows up as a field-tunable split in the Fano lineshape arising due to interference between the dipole coupled dot states and the channel continuum. The split is further modified by the Coulomb interactions within the dot that influence the detuning of the Rabi oscillations. Furthermore, time-resolving the signal we see clear beats when the Rabi frequencies approach the intrinsic Bohr frequencies in the dot. Capturing these coupled dynamics, including memory effects and quantum interference in the channel and the many-body effects in the dot requires coupling a Fock-space master equation for the dot dynamics with the phase-coherent, non-Markovian time-dependent non-equilibrium Green's function (TDNEGF) transport formalism in the channel through a properly evaluated self-energy and a Coulomb integral. The strength of the interactions can further be modulated using a backgate that controls the degree of hybridization and charge polarization at the transistor surface.

cond-mat.mes-hall↗

arXiv2009

Diluted chirality dependence in edge rough graphene nanoribbon field-effect transistors

We investigate the role of various structural nonidealities on the performance of armchair-edge graphene nanoribbon field effect transistors (GNRFETs). Our results show that edge roughness dilutes the chirality dependence often predicted by theory but absent experimentally. Instead, GNRs are classifiable into wide (semi-metallic) vs narrow (semiconducting) strips, defining thereby the building blocks for wide-narrow-wide all-graphene devices and interconnects. Small bandgaps limit drain bias at the expense of band-to-band tunneling in GNRFETs. We outline the relation between device performance metrics and non-idealities such as width modulation, width dislocations and surface step, and non-ideality parameters such as roughness amplitude and correlation length.

cond-mat.mes-hall↗

arXiv2009

Reversal of current blockade through multiple trap correlations

Current noise in electronic devices usually arises from uncorrelated charging events, with individual transitions resolved only at low temperatures. However, in 1-D nanotube-based transistors, we have observed random telegraph signal (RTS) with unprecedented signal-to-noise ratio at room temperature. In addition, we find evidence for cooperative multi-trap interactions that give rise to a characteristically terminated RTS: current blockade induced by one trap is found to fully reverse through electrostatic `passivation' by another. Our observations are well described by a robust quantum transport model that demonstrates how strong correlation and fast varying potentials can resolve energetically proximal states along a 1-D channel.

cond-mat.mtrl-sci↗

arXiv2008

Controlling transistor threshold voltages using molecular dipoles

We develop a theoretical model for how organic molecules can control the electronic and transport properties of an underlying transistor channel to whose surface they are chemically bonded. The influence arises from a combination of long-ranged dipolar electrostatics due to the molecular head-groups, as well as short-ranged charge transfer and interfacial dipole driven by equilibrium band-alignment between the molecular backbone and the reconstructed semiconductor surface atoms.

cond-mat.mes-hall↗

arXiv2006

Extended Huckel theory for bandstructure, chemistry, and transport. II. Silicon

In this second paper, we develop transferable semi-empirical parameters for the technologically important material, silicon, using Extended Huckel Theory (EHT) to calculate its electronic structure. The EHT-parameters areoptimized to experimental target values of the band dispersion of bulk-silicon. We obtain a very good quantitative match to the bandstructure characteristics such as bandedges and effective masses, which are competitive with the values obtained within an $sp^3 d^5 s^*$ orthogonal-tight binding model for silicon. The transferability of the parameters is investigated applying them to different physical and chemical environments by calculating the bandstructure of two reconstructed surfaces with different orientations: Si(100) (2x1) and Si(111) (2x1). The reproduced $π$- and $π^*$-surface bands agree in part quantitatively with DFT-GW calculations and PES/IPES experiments demonstrating their robustness to environmental changes. We further apply the silicon parameters to describe the 1D band dispersion of a unrelaxed rectangular silicon nanowire (SiNW) and demonstrate the EHT-approach of surface passivation using hydrogen. Our EHT-parameters thus provide a quantitative model of bulk-silicon and silicon-based materials such as contacts and surfaces, which are essential ingredients towards a quantitative quantum transport simulation through silicon-based heterostructures.

cond-mat.mtrl-sci↗

arXiv2006

Extended Huckel theory for bandstructure, chemistry and transport. I. Carbon Nanotubes

We describe a semi-empirical atomic basis Extended Hückel Theoretical (EHT) technique that can be used to calculate bulk bandstructure, surface density of states, electronic transmission and interfacial chemistry of various materials within the same computational platform. We apply this method to study multiple technologically important systems, starting with carbon-nanotubes (CNT) and their interfaces in this paper, and silicon-based heterostructures in our follow-up paper. We find that when it comes to quantum transport through interesting, complex heterostructures, the Huckel bandstructure offers a fair and practical compromise between orthogonal tight-binding theories (OTB) with limited transferability between environments under large distortion, and density functional theories (DFT) that are computationally quite expensive for the same purpose.

cond-mat.mtrl-sci↗

arXiv2005

Identifying contact effects in electronic conduction through buckyballs on silicon

We present a theory of current conduction through buckyball(C60) molecules on silicon by coupling a density functional treatment of the molecular levels embedded in silicon with a non-equilibrium Green's function (NEGF) treatment of quantum transport. Several experimental variations in conductance-voltage(G-V) characteristics are quantitatively accounted for by varying the detailed molecule-silicon bonding geometries. We identify how variations in contact surface microstructure influence the number, positions and shapes of the conductance peaks, while varying separations of the scanning probe from the molecules influence their peak amplitudes.

cond-mat.mes-hall↗

arXiv2004

Generalized effective mass approach for cubic semiconductor n-MOSFETs on arbitrarily oriented wafers

The general theory for quantum simulation of cubic semiconductor n-MOSFETs is presented within the effective mass equation approach. The full three-dimensional transport problem is described in terms of coupled transverse subband modes which arise due to quantum confinement along the body thickness direction. Couplings among the subbands are generated for two reasons: due to spatial variations of the confinement potential along the transport direction, and due to non-alignment of the device coordinate system with the principal axes of the constant energy conduction band ellipsoids. The problem simplifies considerably if the electrostatic potential is separable along transport and confinement directions, and further if the potential variations along the transport direction are slow enough to prevent dipolar coupling (Zener tunneling) between subbands. In this limit, the transport problem can be solved by employing two unitary operators to transform an arbitrarily oriented constant energy ellipsoid into a regular ellipsoid with principal axes along the transport, width and confinement directions of the device. The effective masses for several technologically important wafer orientations for silicon and germanium are calculated in this paper.

cond-mat.mes-hall↗

arXiv2004

Gating of a molecular transistor: Electrostatic and Conformational

We derive a general result that can be used to evaluate and compare the transconductance of different field-effect mechanisms in molecular transistors, both electrostatic and conformational. The electrostatic component leads to the well-known thermal limit in the absence of tunneling. We show that in a standard three-terminal geometry and in the absence of strong electron-phonon coupling, the conformational component can lead to significant advantages only if the molecular dipole moment μis comparable to et_ox, t_ox being the thickness of the oxide. Surprisingly this conclusion is independent of the ``softness'' of the conformational modes involved, or other geometrical factors. Detailed numerical results for specific examples are presented in support of the analytical results.

cond-mat.mes-hall↗

arXiv2002

Charge transfer in molecular conductors -- oxidation or reduction?

We discuss the nature of charge transfer in molecular conductors upon connecting to two metallic contacts and imposing a voltage bias across them. The sign of the charge transfer (oxidation vs. reduction) depends on the position of the metal Fermi energy with respect to the molecular levels. In addition, the charge transfer depends on the strength of the coupling (chemisorption vs. physisorption) with the contacts. A convenient way to establish the nature and onset of the charge transfer and the corresponding features in the I-V is to draw an energy level diagram for each spin species. Starting from such a level diagram, we argue that transport in the Tour-Reed switching molecules, which consist of a central phenyl ring with a nitroamine redox center, involves the oxidation of a highest occupied molecular orbital (HOMO)-based level.

cond-mat.mes-hall↗

arXiv2002

First-Principles Analysis of Molecular Conduction Using Quantum Chemistry Software

We present a rigorous and computationally efficient method to do a parameter-free analysis of molecular wires connected to contacts. The self-consistent field approach is coupled with Non-equilibrium Green's Function (NEGF) formalism to describe electronic transport under an applied bias. Standard quantum chemistry software is used to calculate the self-consistent field using density functional theory (DFT). Such close coupling to standard quantum chemistry software not only makes the procedure simple to implement but also makes the relation between the I-V characteristics and the chemistry of the molecule more obvious. We use our method to interpolate between two extreme examples of transport through a molecular wire connected to gold (111) contacts: band conduction in a metallic (gold) nanowire, and resonant conduction through broadened, quasidiscrete levels of a phenyl dithiol molecule. We obtain several quantities of interest like I-V characteristic, electron density and voltage drop along the molecule.

cond-mat.mes-hall↗

arXiv2002

Insights into molecular conduction from I-V asymmetry

We investigate the origin of asymmetry in the measured current-voltage (I-V) characteristics of molecules with no inherent spatial asymmetry. We establish that such molecules can exhibit asymmetric I-V characteristics due to unequal coupling with the contacts. In contrast with spatially asymmetric molecules, conduction takes place through essentially the same level in both bias directions. The asymmetry arises from a subtle difference in the charging effects, which can only be captured in a self-consistent model for molecular conduction. For HOMO-based conduction, the current is smaller for positive voltage on the stronger contact, while for LUMO conduction, the sense of asymmetry is switched.

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