Theoretical Simulations on Electric Properties of CNT-Me and GNR-Me Interconnects Using Effective Media Approach

Abstract To overcome disadvantages of nowadays microtechnology, a further miniaturization of electronic devices, high integration level as well as increase of both operation frequencies and power density is required, including the use of adequate materials and innovative chip interconnects. Due to their unique physical properties, especially due to a ballistic (without losses) mechanism of conductivity, carbon nanotubes (CNTs) and graphene nanoribbons (GNRs) attract a permanently growing technological interest, for example, as promising candidates for nanointerconnects in a high-speed electronics

Characterization of Carbon Nanostructures Based on Transmission Line Model.

PhDIn the past two decades carbon nanotubes and graphene have attracted a lot of research attention due to their exceptional electronic properties. The research focus on improving the synthesising techniques will eventually lead to their applications in terahertz wave, millimetre wave and microwave frequencies. In this thesis, a modelling technique based on the transmission line theory is proposed to calculate the 2-port S-parameters of vertically aligned CNT arrays with finite sizes and arbitrary cross sections. The process takes into account all the coupling in the array and gives the analytical solution of S-parameters. The simulation results from the proposed technique are compared with results obtained by effective single conductor model and shows a good matching for small arrays and an increasing difference with the increase of array sizes. From the S-parameters, the fundamental properties of CNT arrays such as input impedance and absorption are obtained and compared with measurement results in microwave frequencies. The dependence of these properties on ambient temperature and host medium are also presented to explore the tunability of CNT arrays. From the Fabry-Perot the wave propagating velocity is also calculated for arrays with different sizes and fitted with a power function. The S-parameters allows the extraction of the complex permittivity, permeability and conductivity of the CNT array. The extracted permittivity and absorption are compared with measurement results. The graphene nanoribbons are simulated in the same manner. The graphene sheet on top of a microstrip gap is simulated using transmission line model at microwave frequencies to show the impact of parasitics and contact resistances. Finally, a graphene based microwave absorber is proposed and modelled under both electric and magnetic bias. The absorber shows good broadband absorption rate and a potential for turning transparent and opaque to microwaves under both electric and magnetic bias.China Scholarship Council (CSC

Modeling of Thermally Aware Carbon Nanotube and Graphene Based Post CMOS VLSI Interconnect

This work studies various emerging reduced dimensional materials for very large-scale integration (VLSI) interconnects. The prime motivation of this work is to find an alternative to the existing Cu-based interconnect for post-CMOS technology nodes with an emphasis on thermal stability. Starting from the material modeling, this work includes material characterization, exploration of electronic properties, vibrational properties and to analyze performance as a VLSI interconnect. Using state of the art density functional theories (DFT) one-dimensional and two-dimensional materials were designed for exploring their electronic structures, transport properties and their circuit behaviors. Primarily carbon nanotube (CNT), graphene and graphene/copper based interconnects were studied in this work. Being reduced dimensional materials the charge carriers in CNT(1-D) and in graphene (2-D) are quantum mechanically confined as a result of this free electron approximation fails to explain their electronic properties. For same reason Drude theory of metals fails to explain electronic transport phenomena. In this work Landauer transport theories using non-equilibrium Green function (NEGF) formalism was used for carrier transport calculation. For phonon transport studies, phenomenological Fourier’s heat diffusion equation was used for longer interconnects. Semi-classical BTE and Landauer transport for phonons were used in cases of ballistic phonon transport regime. After obtaining self-consistent electronic and thermal transport coefficients, an equivalent circuit model is proposed to analyze interconnects’ electrical performances. For material studies, CNTs of different variants were analyzed and compared with existing copper based interconnects and were found to be auspicious contenders with integrational challenges. Although, Cu based interconnect is still outperforming other emerging materials in terms of the energy-delay product (1.72 fJ-ps), considering the electromigration resistance graphene Cu hybrid interconnect proposed in this dissertation performs better. Ten times more electromigration resistance is achievable with the cost of only 30% increase in energy-delay product. This unique property of this proposed interconnect also outperforms other studied alternative materials such as multiwalled CNT, single walled CNT and their bundles

Morphologic Instability of Graphene and its Potential Applications

Graphene is a monolayer of graphite. The surge of interest in graphene, as epitomized by the Nobel Prize in Physics in 2010, is largely attributed to its exceptional properties. Ultra thin, mechanically tough, electrically conductive, and transparent graphene films promise to enable a wealth of possible applications ranging from thin-film solar cells, flexible displays, to biochemical sensing arrays. However, significant gaps remain to realize these potential applications, largely due to the difficulty of precisely controlling graphene properties. Graphene is intrinsically non-flat and tends to be randomly corrugated. The random graphene morphology can lead to unstable performance of graphene devices as the corrugating physics of graphene is closely tied to its electronic properties. Future success of graphene-based applications hinges upon precise control of the graphene morphology, a significant challenge largely unexplored so far. This dissertation aims to explore viable pathways to tailoring graphene morphology and leverage possible morphologic instability of graphene for novel nano-device applications. Inspired by recent experiments, we propose and benchmark a strategy to precisely control the graphene morphology via extrinsic regulation (e.g., substrate surface features, patterned nanowires and nanoparticles). A general energetic framework is delineated to quantitatively determine the extrinsically regulated graphene morphology through energy minimization. Such a framework is benchmarked by determining the graphene morphology regulated by various types and dimensions of nanoscale extrinsic scafffolds, including two dimensional herringbone and checkerboard corrugations on substrate surfaces and one dimensional substrate surface grooves and patterned nanowires. The results reveal a snap-through instability of the graphene morphology, that is, depending on interfacial bonding energy and substrate surface roughness, the graphene morphology exhibits a sharp transition between two distinct states: (1) closely conforming to the substrate surface and (2) remaining nearly flat on the substrate surface. This snap-through instability of graphene holds potential to enable graphene-based functional nano-devices (e.g., ultrasensitive nano-switches). Another type of morphologic instability of graphene is the spontaneous scrolling of graphene into a carbon nanoscroll (CNS). The spiral multilayer nanostructure of CNSs is topologically open and thus distinct from that of carbon nanotubes (CNTs). The unique topological structure of CNSs can enable an array of novel applications, e.g., hydrogen storage, water channels and ultrafast nano-oscillators. However, the realization of CNS-based applications is hindered by the lack of reliable approach to fabricating high quality CNSs. We propose a simple physical approach to fabricating CNSs via CNT-initiated scrolling of graphene on a substrate. The successful formation of a CNS depends on the CNT diameter, the carbon-carbon interaction strength and the graphene-substrate interaction strength. We further demonstrate that the resulting CNS/CNT nanostructure can be used as an ultrafast axial nano-oscillator that operates at 10s GHz. Such CNS-based nano-oscillators can be excited and driven by an external AC electric field, further illustrating their potential to enable nano-scale energy transduction, harnessing and storage

Two-Dimensional Electronic Materials and Devices: Opportunities and Challenges

The unprecedented growth of the Internet of Things (IoT) and the 4th Industrial Revolution (Industry 4.0) not only demands dimensional scaling of device technologies but also new types of applications beyond today’s electronics. Two-dimensional (2D) materials, a group of layered crystals (such as graphene and MoS2) with unique properties, have emerged as promising candidates for IoT and Industry 4.0 since they can, not only extend the scaling with unprecedented performance and energy efficiency but also exhibit high potential for novel electronic devices. However, such nanomaterials suffer from significant challenges in process integration, especially in the modules that involves the formation of interfaces between 2D materials and conventional bulk materials. Thus, realizing high-performance energy-efficient 2D electronic devices has been challenging. This dissertation focuses on understanding the fundamental issues in such 2D materials (such as contacts, interfaces and doping) and in identifying applications uniquely enabled by these materials.First, a comprehensive treatment of metal contacts to 2D semiconductors, which has been a huge hurdle for 2D electronic technologies, will be presented. As a pioneering study, new interface physics originating from the unique dimensionality and surface properties have been revealed [1]. Solutions to minimize contact resistance are described though techniques of interface hybridization [2] and seamless contacts [3], [4]. These techniques transform 2D semiconductors from solely scientifically-interesting materials into high-performance field-effect transistor (FET) technologies, such as MoS2 FETs with record-low contact resistances [5], [6] and WSe2 FETs with record-high drive current and mobility [7]. Beyond metal interfaces, dielectric interface is crucial for preserving the carrier mobility in 2D channels, for which a solution enabled by buffer layers has been proposed [8]. On the other hand, the vertical van der Waals interfaces between 2D and 3D semiconductors, which retain the advantages of pristine ultra-thin 2D films as well as maximized tunneling area/field, have been studied and exploited into a novel beyond-silicon transistor technology – the first 2D channel tunnel FET (TFET) [9], which beat the fundamental limitation in the switching behavior of transistors. Recent results from the engineering of such 2D-3D semiconductor interfaces by surface reduction/passivation are described, showing a significant boost of drive current. While conventional diffusion/ion implantation methods are infeasible for 2D materials, two efficient doping techniques that are specific for 2D materials – surface doping [10], [11] and intercalation doping [12] are presented. The theoretical study of surface doping using ab-initio methods helped develop a novel doping scheme that uniquely exploits the Lewis-base like pedigree of 2D semiconductors without disturbing the structural integrity of the 2D atomic layer configuration [13], as well as a novel electrocatalyst based on MoS2 that achieved record high hydrogen evolution reaction (HER) performance [14]. On the other hand, intercalation doping has been employed to demonstrate graphene based transparent electrodes with the best combination of transmittance and sheet resistance [12], and also the first graphene interconnects with excellent performance, reliability and energy-efficiency [15], [16]. Moreover, by uniquely exploiting the high kinetic inductance and conductivity of intercalation doped graphene, a fundamentally different on-chip inductor has been demonstrated [17], [18], with both small form-factors and high inductance values, that were once thought unachievable in tandem. This 2D technique provides an attractive solution to the longstanding scaling problem of analog/radio-frequency electronics and opens up an unconventional pathway for the development of future ultra-compact wireless communication systems. Finally, a novel dissipative quantum transport methodology based on Büttiker probes with band-to-band tunneling capability is developed for 2D FETs [19]. Subsequently, gate-induced-drain-leakage (GIDL), one of the main leakage mechanisms in FETs especially access transistors, is evaluated for the first time for 2D FETs. The results establish the advantages of certain 2D semiconductors in greatly reducing GIDL and thereby support use of such materials in future memory technologies.The dissertation concludes with a vision for how a smart life can be realized in the future by harnessing the capabilities of various 2D technologies in the era of IoT and Industry 4.0.[1] J. Kang, D. Sarkar, W. Liu, D. Jena, and K. Banerjee, “A computational study of metal-contacts to beyond-graphene 2D semiconductor materials,” in IEEE International Electron Devices Meeting, 2012, pp. 407–410.[2] J. Kang, W. Liu, D. Sarkar, D. Jena, and K. Banerjee, “Computational Study of Metal Contacts to Monolayer Transition-Metal Dichalcogenide Semiconductors,” Phys. Rev. X, vol. 4, no. 3, p. 31005, Jul. 2014.[3] J. Kang, D. Sarkar, Y. Khatami, and K. Banerjee, “Proposal for all-graphene monolithic logic circuits,” Appl. Phys. Lett., vol. 103, no. 8, p. 83113, 2013.[4] A. Allain, J. Kang, K. Banerjee, and A. Kis, “Electrical contacts to two-dimensional semiconductors,” Nat. Mater., vol. 14, no. 12, pp. 1195–1205, 2015.[5] W. Liu et al., “High-performance few-layer-MoS2 field-effect-transistor with record low contact-resistance,” in IEEE International Electron Devices Meeting, 2013, pp. 499–502.[6] J. Kang, W. Liu, and K. Banerjee, “High-performance MoS2 transistors with low-resistance molybdenum contacts,” Appl. Phys. Lett., vol. 104, no. 9, p. 93106, Mar. 2014.[7] W. Liu, J. Kang, D. Sarkar, Y. Khatami, D. Jena, and K. Banerjee, “Role of metal contacts in designing high-performance monolayer n-type WSe2 field effect transistors.,” Nano Lett., vol. 13, no. 5, pp. 1983–90, May 2013.[8] J. Kang, W. Liu, and K. Banerjee, “Computational Study of Interfaces between 2D MoS2 and Surroundings,” in 45th IEEE Semiconductor Interface Specialists Conference, 2014.[9] D. Sarkar et al., “A subthermionic tunnel field-effect transistor with an atomically thin channel,” Nature, vol. 526, no. 7571, pp. 91–95, Sep. 2015.[10] Y. Khatami, W. Liu, J. Kang, and K. Banerjee, “Prospects of graphene electrodes in photovoltaics,” in Proceedings of SPIE, 2013, vol. 8824, p. 88240T–88240T–6.[11] D. Sarkar et al., “Functionalization of Transition Metal Dichalcogenides with Metallic Nanoparticles: Implications for Doping and Gas-Sensing,” Nano Lett., vol. 15, no. 5, pp. 2852–2862, May 2015.[12] W. Liu, J. Kang, and K. Banerjee, “Characterization of FeCl3 intercalation doped CVD few-layer graphene,” IEEE Electron Device Lett., vol. 37, no. 9, pp. 1246–1249, Sep. 2016.[13] S. Lei et al., “Surface functionalization of two-dimensional metal chalcogenides by Lewis acid–base chemistry,” Nat. Nanotechnol., vol. 11, no. 5, pp. 465–471, Feb. 2016.[14] J. Li, J. Kang, Q. Cai, W. Hong, C. Jian, and W. Liu, “Boosting Hydrogen Evolution Performance of MoS2 by Band Structure Engineering,” Adv. Mater. Interfaces, vol. 1700303, 2017.[15] J. Jiang et al., “Intercalation doped multilayer-graphene-nanoribbons for next-generation interconnects,” Nano Lett., vol. 17, no. 3, pp. 1482–1488, Mar. 2017.[16] J. Jiang, J. Kang, and K. Banerjee, “Characterization of Self - Heating and Current - Carrying Capacity of Intercalation Doped Graphene - Nanoribbon Interconnects,” in IEEE International Reliability Physics Symposium, 2017, p. 6B.1.1-6B.1.6.[17] X. Li et al., “Graphene inductors for high-frequency applications - design, fabrication, characterization, and study of skin effect,” in IEEE International Electron Devices Meeting, 2014, p. 5.4.1-5.4.4.[18] J. Kang et al., under review.[19] J. Kang et al., under review

MULTISCALE SIMULATIONS OF THERMAL TRANSPORT IN GRAPHENE-BASED MATERIALS AND ACROSS METAL-SEMICONDUCTOR INTERFACES

The rapid advance in modern electronics and photonics is pushing device design to the micro- and nano-scale, and the resulting high power density imposes immense challenges to thermal management. When device size shrinks to the same order of or even below the wavelength or mean-free-path of heat carriers, the transport of heat carriers and the interaction between them will differ from those in the macroscopic regime. This imposes challenges on designing micro/nano-devices with required thermal performance, while, at the same time, also opens the door for designing novel materials and structures with promising thermal properties

Two-Dimensional Electronics - Prospects and Challenges

During the past 10 years, two-dimensional materials have found incredible attention in the scientific community. The first two-dimensional material studied in detail was graphene, and many groups explored its potential for electronic applications. Meanwhile, researchers have extended their work to two-dimensional materials beyond graphene. At present, several hundred of these materials are known and part of them is considered to be useful for electronic applications. Rapid progress has been made in research concerning two-dimensional electronics, and a variety of transistors of different two-dimensional materials, including graphene, transition metal dichalcogenides, e.g., MoS2 and WS2, and phosphorene, have been reported. Other areas where two-dimensional materials are considered promising are sensors, transparent electrodes, or displays, to name just a few. This Special Issue of Electronics is devoted to all aspects of two-dimensional materials for electronic applications, including material preparation and analysis, device fabrication and characterization, device physics, modeling and simulation, and circuits. The devices of interest include, but are not limited to transistors (both field-effect transistors and alternative transistor concepts), sensors, optoelectronics devices, MEMS and NEMS, and displays

Graphene nano-ribbon and transition metal dichalcogenide field-effect transistor modeling and circuit simulation

This dissertation presents a modeling and simulation study of graphene nano-ribbon and transition metal dichalcogenide field-effect transistors. Through compact modeling, SPICE implementation of the transistors is realized, and circuit-level simulation is enabled. Extensive simulation studies are performed to evaluate the performance of these two emerging devices

Analytical Microscopy Applications to Wide-Bandgap Semiconductors and Nanocarbon-Metal Composite Materials

Understanding the atomic structure of materials lies at the heart of materials science. Electron microscopy offers myriad techniques to both probe processing-structure-property relationships in materials, and to manipulate those relationships directly. In this thesis, analytical transmission electron microscopy (TEM) was used to investigate two distinct material systems with applications to energy-efficient technologies: wide-bandgap semiconductors and nanocarbon-metal composites. In the first project, TEM and electron energy loss spectroscopy were used to investigate the structure, composition and bonding of metal-oxide-semiconductor devices based on silicon carbide (SiC) and gallium oxide (Ga2O3). The performance of SiC falls short of ideal due to electrically active interfacial defect states. This work confirms that boron doping at the SiC/SiO2 interface is feasible and improves the device channel mobility likely through a stress-relaxation mechanism. Separately, no adverse structural effects were found after antimony ion implantation into the SiC substrate, which independently raises mobility via a counter-doping mechanism. Few atomic-scale studies on Ga2O3 have been reported to date; this thesis aims to bridge the knowledge gap by investigating gate oxide materials and process conditions from a structural perspective. Elevated annealing temperatures reduced interface quality for both SiO2 and Al2O3 gate oxides. Separately, amorphous Al2O3 layers were crystallized under moderate electron irradiation in TEM. One-fourth the dose was required for crystallization with 100-keV electrons compared to 200 keV, indicating an ionization-induced atomic rearrangement mechanism. This unexpected phenomenon will have implications for devices operating in extreme environments. The second project investigated structure-property relationships in novel nano-carbon metal-matrix composites called covetics, which exploit the superior mechanical and electrical properties of carbon nanostructures such as graphene. Aluminum covetics were characterized using TEM and various spectroscopy techniques; complementary quantum-mechanical and effective-medium models were used to predict the performance of covetics with a range of structures. The models suggest that an electrical conductivity enhancement of ≈10% is feasible with a 5 vol.% carbon loading, but oxides and poor Al/C contact often diminish the performance of real covetics