Gengchiau Liang

Performance Projections for Ballistic Graphene Nanoribbon Field-Effect Transistors

The upper limit performance potential of ballistic carbon nanoribbon MOSFETs (CNR MOSFETs) is examined. Calculation of the bandstructure of nanoribbons using a single pz-orbital tight-binding method and evaluation of the current-voltage characteristics of a nanoribbon MOSFET were used in a semiclassical ballistic model. The authors find that semiconducting ribbons a few nanometers in width behave electronically in a manner similar to carbon nanotubes, achieving similar ON-current performance. The calculations show that semiconducting CNR transistors can be candidates for high-mobility digital switches, with the potential to outperform the silicon MOSFET. Although wide ribbons have small bandgaps, which would increase subthreshold leakage due to band to band tunneling, their ON-current capabilities could still be attractive for certain applications

Silicon-based molecular electronics

Molecular electronics on silicon has distinct advantages over its metallic counterpart. We describe a theoretical formalism for transport in semiconductor−molecule heterostructures, formally combining a semiempirical treatment of bulk silicon with a first-principles description of the molecular chemistry and its bonding with silicon. Using this method, we demonstrate that the presence of a semiconducting band-edge can lead to a novel molecular resonant tunneling diode (RTD) that shows negative differential resistance (NDR) when the molecular levels are driven by an STM potential into the semiconducting band gap. The NDR peaks show a clear polarity reversal, appearing for positive bias on a p-doped and negative for an n-doped substrate, a feature that is in agreement with recent experiments by Guisinger et al.1,2

Sub-100 Nanometer Channel Length Ge/Si Nanowire Transistors with Potential for 2 THz Switching Speed

Ge/Si core/shell nanowires (NWs) are attractive and flexible building blocks for nanoelectronics ranging from field-effect transistors (FETs) to low-temperature quantum devices. Here we report the first studies of the size-dependent performance limits of Ge/Si NWFETs in the sub-100 nm channel length regime. Metallic nanoscale electrical contacts were made and used to define sub-100 nm Ge/Si channels by controlled solid-state conversion of Ge/Si NWs to NiSixGe y alloys. Electrical transport measurements and modeling studies demonstrate that the nanoscale metallic contacts overcome deleterious short-channel effects present in lithographically defined sub-100 nm channels. Data acquired on 70 and 40 nm channel length Ge/Si NWFETs with a drain-source bias of 0.5 V yield transconductance values of 78 and 91 microS, respectively, and maximum on-currents of 121 and 152 microA. The scaled transconductance and on-current values for a gate and bias voltage window of 0.5 V were 6.2 mS/microm and 2.1 mA/microm, respectively, for the 40 nm device and exceed the best reported values for planar Si and NW p-type FETs. In addition, analysis of the intrinsic switching delay shows that terahertz intrinsic operation speed is possible when channel length is reduced to 70 nm and that an intrinsic delay of 0.5 ps is achievable in our 40 nm device. Comparison of the experimental data with simulations based on a semiclassical, ballistic transport model suggests that these sub-100 nm Ge/Si NWFETs with integrated high-kappa gate dielectric operate near the ballistic limit.

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

We ana/lyze the performance of a recently reported Ge/Si core/shell nanowire transistor using a semiclassical, ballistic transport model and an sp3d5s* 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 and 85% of the ballistic limit. For this approximately 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 less than about 5 nm. The methodology described here should prove useful for analyzing and comparing on a common basis nanowire transistors of various materials and structures.

Ballistic graphene nanoribbon metal-oxide-semiconductor field-effect transistors: A full real-space quantum transport simulation

A real-space quantum transport simulator for graphene nanoribbon (GNR) metal-oxide-semiconductor field-effect transistors (MOSFETs) has been developed and used to examine the ballistic performance of GNR MOSFETs. This study focuses on the impact of quantum effects on these devices and on the effect of different type of contacts. We found that two-dimensional (2D) semi-infinite graphene contacts produce metal-induced-gap states (MIGS) in the GNR channel. These states enhance quantum tunneling, particularly in short channel devices, they cause Fermi level pinning and degrade the device performance in both the ON-state and OFF-state. Devices with infinitely long contacts having the same width as the channel do not indicate MIGS. Even without MIGS quantum tunneling effects such as band-to-band tunneling still play an important role in the device characteristics and dominate the OFF-state current. This is accurately captured in our nonequilibrium Greens’ function quantum simulations. We show that both narrow (...

Thermoelectric performance of MX2 (M = Mo,W; X = S,Se) monolayers

Using ab-initio method and ballistic transport model, we study electron and phonon energy dispersion relations of monolayer transition-metal dichalcogenides: MoS2, MoSe2, WS2, and WSe2. Their electron and heat transports as well as their thermoelectric properties are also studied under linear response regime with different doping types, crystal orientations, and temperatures. Our results show that electron and phonon transports are not very sensitive to crystal orientations because the differences between group velocity and transmission of these carriers along different transport directions are not significant. Furthermore, as temperature increases, first peak values of thermoelectric figure of merit (ZT1st peak) increase linearly except for monolayer n-type WSe2/MoSe2 and p-type WS2, which have higher increasing rates when temperature is high due to the electron transport contribution from an additional valley. Among these various conditions, the results show that all monolayers have similar ZT1st peak a...

Graphene-based Spin Caloritronics

Thermally induced spin transport in magnetized zigzag graphene nanoribbons (M-ZGNRs) is explored using first-principles calculations. By applying temperature difference between the source and the drain of a M-ZGNR device, spin-up and spin-down currents flowing in opposite directions can be induced. This spin Seebeck effect in M-ZGNRs can be attributed to the asymmetric electron-hole transmission spectra of spin-up and spin-down electrons. Furthermore, these spin currents can be modulated and completely polarized by tuning the back gate voltage. Finally, thermal magnetoresistance of ZGNRs between ground states and magnetized states can reach 10(4)% without an external bias. Our results indicate the possibility of developing graphene-based spin caloritronic devices.

Disorder enhances thermoelectric figure of merit in armchair graphane nanoribbons

We study the thermoelectric property of graphane strips by using density functional theory calculations combined with the nonequilibrium Green’s function method. It is found that figure of merit (ZT) can be remarkably enhanced five times by randomly introducing hydrogen vacancies to the graphene nanoribon derivatives—armchair graphane nanoribbons. For 5 nm wide ribbons under certain conditions, ZT can be as high as 5.8 and depends on temperature linearly. The high ZT, low cost, and rapid advances in the synthesis of nanoscale graphene derivatives make carbon-based materials a viable choice for thermoelectric applications.

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 Poissons equation with boundary conditions set by the contact electrochemical potentials and coupling the result self-consistently with a nonequilibrium Greens function formulation of transport. The overall shape of the potential profile (ramp versus 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, 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 current--voltage

Theoretical study of thermoelectric properties of few-layer MoS2 and WSe2

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