arXiv subjects

Gengchiau Liang

Publications and source records attributed to Gengchiau Liang.

42 records · Page 3Linked to original sources

arXiv2008

An Ab Initio Study on Energy Gap of Bilayer Graphene Nanoribbons with Armchair Edges

Dependency of energy bandgap (Eg) of bilayer armchair graphene nanoribbons (AGNRB) on their widths, interlayer distance (D) and edge doping concentration of boron/nitrogen is investigated using local density approximation and compare to the results of monolayer graphene nanoribbons (AGNRM). Although Eg of AGNRB, in general, is smaller than that of AGNRM, AGNRB exhibits two distinct groups, metal and semiconductor, while AGNRM displays purely semiconducting behavior. Eg of AGNRB, moreover, is highly sensitive to D, indicating a possible application in tuning Eg by varying D. Finally, edge doping of both AGNR systems reduces Eg by 11-17%/4-10% for AGNRM/AGNRB, respectively.

cond-mat.mtrl-sci↗

arXiv2007

Ballistic Graphene Nanoribbon MOSFETs: a full quantum real-space simulation study

A real-space quantum transport simulator for carbon nanoribbon (CNR) MOSFETs has been developed. Using this simulator, the performance of carbon nanoribbon (CNR) MOSFETs is examined in the ballistic limit. The impact of quantum effects on device performance of CNR MOSFETs is also studied. We found that 2D semi-infinite graphene contacts provide metal-induced-gap-states (MIGS) in the CNR channel. These states would provide quantum tunneling in the short channel device and cause Fermi level pining. These effects cause device performance degradation both on the ON-state and the OFF-state. Pure 1D devices (infinite contacts), however, show no MIGS. Quantum tunneling effects are still playing an important role in the device characteristics. Conduction due to band-to-band tunneling is accurately captured in our simulations. It is important in these devices, and found to dominate the off-state current. Based on our simulations, both a 1.4nm wide and a 1.8nm wide CNR with channel length of 12.5nm can outperform ultra scaled Si devices in terms of drive current capabilities and electrostatic control. Although subthreshold slopes in the forward-bias conduction are better than in Si transistors, tunneling currents are important and prevent the achievement of the theoretical limit of 60mV/dec.

cond-mat.mes-hall↗

arXiv2006

Performance Analysis of a Ge/Si Core/Shell Nanowire Field Effect Transistor

We analyze the performance of a recently reported Ge/Si core/shell nanowire transistor using a semiclassical, ballistic transport model and an sp3s*d5 tight-binding treatment of the electronic structure. Comparison of the measured performance of the device with the effects of series resistance removed to the simulated result assuming ballistic transport shows that the experimental device operates between 60 to 85% of the ballistic limit. For this ~15 nm diameter Ge nanowire, we also find that 14-18 modes are occupied at room temperature under ON-current conditions with ION/IOFF=100. To observe true one dimensional transport in a <110> Ge nanowire transistor, the nanowire diameter would have to be much less than about 5 nm. The methodology described here should prove useful for analyzing and comparing on common basis nanowire transistors of various materials and structures.

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↗

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

Electrostatic potential profiles of molecular conductors

The electrostatic potential across a short ballistic molecular conductor depends sensitively on the geometry of its environment, and can affect its conduction significantly by influencing its energy levels and wave functions. We illustrate some of the issues involved by evaluating the potential profiles for a conducting gold wire and an aromatic phenyl dithiol molecule in various geometries. The potential profile is obtained by solving Poisson's equation with boundary conditions set by the contact electrochemical potentials and coupling the result self-consistently with a nonequilibrium Green's function (NEGF) formulation of transport. The overall shape of the potential profile (ramp vs. flat) depends on the feasibility of transverse screening of electric fields. Accordingly, the screening is better for a thick wire, a multiwalled nanotube or a close-packed self-assembled monolayer (SAM), in comparison to a thin wire, a single-walled nanotube or an isolated molecular conductor. The electrostatic potential further governs the alignment or misalignment of intramolecular levels, which can strongly influence the molecular I-V characteristic. An external gate voltage can modify the overall potential profile, changing the current-voltage (I-V) characteristic from a resonant conducting to a saturating one. The degree of saturation and gate modulation depends on the metal-induced-gap states (MIGS) and on the electrostatic gate control parameter set by the ratio of the gate oxide thickness to the channel length.

cond-mat.mes-hall↗