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Featuring detailed explanations of the major algorithms used in quantum Monte Carlo simulations, this is the first textbook of its kind to provide a pedagogical overview of the field and its applications. The book provides a comprehensive introduction to the Monte Carlo method, its use, and its foundations, and examines algorithms for the simulation of quantum many-body lattice problems at finite and zero temperature. These algorithms include continuous-time loop and cluster algorithms for quantum spins, determinant methods for simulating fermions, power methods for computing ground and excited states, and the variational Monte Carlo method. Also discussed are continuous-time algorithms for quantum impurity models and their use within dynamical mean-field theory, along with algorithms for analytically continuing imaginary-time quantum Monte Carlo data. The parallelization of Monte Carlo simulations is also addressed. This is an essential resource for graduate students, teachers, and researchers interested in quantum Monte Carlo techniques.
Nanowire FETs can be used in the same fashion as any other type of MOSFET to construct the logic gates that are the building blocks for data processors and control circuits, as well as memory cells of various types such as static random access memory (SRAM), flash memory, and so on. The topology of nanowire transistors makes them particularly suitable for making array-like circuits such as crossbar nanowire circuits and nanoscale application-specific integrated circuits. Nanowire FETs can even be used as photodetectors [1]. Last but not least, nanowire transistor-based sensors can also be combined with CMOS electronics to deliver powerful chemical or biomedical analytical devices.
Nanowire transistors can be used as single devices. They can also be used in serial or parallel combinations. Figure 7.1 shows horizontal nanowire transistors in a parallel configuration; using this architecture a high current drive with a small layout footprint can be achieved [2]. Vertical nanowire transistors lend themselves quite naturally to the formation of NAND-based architectures as shown in Fig. 7.2.
CMOS logic
Techniques for the design and optimization of nanowire circuits are still in their infancy. Key performance indicators (KPIs) include ON/OFF currents, effective current and effective gate capacitance, CV/I, integration density, and other performance measures normally associated with CMOS transistors. Key process and layout parameters include number of nanowires per transistor, footprint, nanowire diameter, and other process-related parameters such as gate length, gate over-underlap length and source/drain (S/D) region length. One particular study indicates that through design optimization, the total capacitance and parasitic resistance of typical nanowire CMOS gates can be reduced by over 80% compared to nanowire designs without optimized process parameters. Significant improvements are achieved through the reduction of the source/drain extension length, gate overlap, and nanowire diameter. Optimization of the device parameters can also achieve an improvement of over 90% reduction in delay and power consumption at the circuit level [3].
With the decrease of both device dimensions and supply voltage, variability has become an important issue in integrated circuit fabrication. Device parameters such as threshold voltage, drain-induced barrier lowering (DIBL), and ON and OFF currents exhibit statistical variations. The origins of these variations are multiple and include gate line edge roughness (LER), random doping fluctuations (RDF), nanowire diameter variations, and/or nanowire surface roughness.
The electronic structure of a semiconductor nanowire can vary substantially with respect to bulk material properties due to orientation, diameter, strain, quantum confinement, and surface effects. Before introducing the electronic structure of nanowires, the crystal structures of common group IV and III-V binary compounds are introduced. Semiconductor nanowires, even for diameters of a few nanometers, can retain the bonding characteristic of their bulk crystalline forms. This permits classification of nanowires by the crystal orientation aligned to the nanowire long, axial, or “growth” axis. To determine electronic structures of materials generally requires a combination of experimental and theoretical approaches in a fruitful collaboration whereby the strengths of several methods are used to complement one another. Elementary analysis of band structures is considered in relation to the observed properties of materials leading to their categorization as insulators, semiconductors, semimetals, and metals. These basic material categories are the fundamental building blocks for nanoelectronic devices. A brief discussion of experimental and theoretical methods for the determination of electronic properties is given to provide background on the state-of-the-art for electronic structure characterization and calculations. The electronic band structures of common bulk semiconductors are presented for reference. Atomic scale models for nanowires oriented along different crystal directions are introduced with the relationship between confinement normal to a nanowire's long axis and electronic structure expressed in terms of band folding. Representative electronic band structures are then introduced for different nanowire systems based on diameter and orientation to highlight the key effects of reduced dimensionality on electronic structure.
Semiconductor crystal structures: group IV and III-V materials
Group IV bonding and the diamond crystal structure
Silicon crystallizes in a cubic crystal structure that has the same symmetry as the diamond form of carbon. This structure is referred to as the diamond cubic crystal structure or sometimes more colloquially as the “diamond lattice.” The local bonding characteristic of the diamond crystal structure is largely retained when nanowires are patterned from crystalline silicon or grown from bottom-up processes such as those described in Chapter 3. In the diamond structure, each atom is tetrahedrally bonded to four nearest neighbor atoms. Many materials can also exist in amorphous form whereby the long-range order of a crystal is lost.
Solid-state physics is primarily concerned with the quantum mechanics of bulk materials and surfaces. Molecular physics and quantum chemistry are similarly the application of quantum mechanics to molecular problems. Bulk materials may be described as three-dimensional objects, and their spatial dimensions have a significant influence on the allowed solutions for quantum mechanical energy states or levels. These quantum mechanical levels in three dimensions give rise to electronic band structures which are commonly used to define a material as a metal, insulator, or semiconductor. Energy bands are formed from quantum mechanical states that are nearly continuous in energy. If the states that comprise a band are only partially filled with electrons, a metal is formed. For a fully occupied band separated by a relatively small energy gap, a semiconductor is the result. If the energy gap between a filled band and an empty band is large, the material is described as an insulator. Molecules are zero-dimensional objects with vanishing of the wave function in all three spatial directions and the bound electrons do not propagate. This gives rise to a discrete energy spectrum that is characteristic of molecules; the spacing between energy levels is large and there is no corresponding band picture of the electronic spectrum.
Modern epitaxial growth, lithography, chemical synthesis, self-assembly, and scanning probe techniques allow for the fabrication of material systems that are intermediate in dimensionality to solids and molecules. When electrons or holes are confined in a single direction and are free to propagate in two directions, a two-dimensional electron or hole gas (2DEG or 2DHG) is formed. If electrons or holes are confined in two dimensions and electrons or holes are free to move in a single spatial direction, a nanowire or one-dimensional (1D) structure is formed. In the following, quantum mechanics is introduced with a focus on the physics of 1D or nanowire structures with emphasis on the concepts relevant to engineering transistor structures on the nanoscale.
Survey of quantum mechanics in 1D
Quantum mechanics relies on the use of state vectors to describe a physical system and operators are used to determine physical properties that are measurable. In quantum mechanics, the systems that are subject to measurement are of the same scale as the smallest experimental probes that can be devised.
The history of electronics spans over more than a century. A key milestone in the history of electronics was the invention of the telephone in 1876 and patents for the device were filed independently by Elisha Gray and Alexander Graham Bell on 14 February that same year. Bell filed first, and thus the patent was granted to him. This timely, or untimely for Gray, coincidence has become a textbook example for teaching the importance of intellectual property law in engineering schools across the globe.
Years later, the first radio broadcast took place in 1910 and is credited to the De Forest Radio Laboratory, New York. Lee De Forest, inventor of the electron vacuum tube, arranged the world's first radio broadcast featuring legendary tenor Enrico Caruso along with other stars of the New York Metropolitan Opera to several receiving locations within the city. Experimental television broadcasts can be traced back to 1928, but practical TV sets and regular broadcasts date back to shortly after the Second World War.
During this initial phase of development, electronics was based on vacuum tubes and electromechanical devices. The first transistor was invented at Bell Labs by William Shockley, John Bardeen, and Walter Brattain in 1947 and they used a structure named a point-contact transistor. Two gold contacts acted as emitter and collector contacts on a piece of germanium. William Shockley made and patented the first bipolar junction transistor in the following year, 1948. It is worth noting that the point-contact transistor was independently invented by German physicists Herbert Mataré and Heinrich Welker of the Compagnie des Freins et Signaux, a Westinghouse subsidiary located in Paris [1].
The first patent for a metal-oxide-semiconductor field-effect transistor (MOSFET) was filed by Julius Edgar Lilienfeld in Canada and in the USA during 1925 and 1928, respectively [2,3]. The semiconductor material used in the patent was copper sulfide and the gate insulator was alumina. However, a working device was never successfully fabricated or published at that time. The first functional MOSFET was made by Dawon Kang and John Atalla in 1959 and patented later in 1963 [4]. The successful field-effect operation was enabled by the use of silicon and silicon dioxide for the metal-oxide-semiconductor (MOS) stack.
Semiconductor nanowires can be fabricated using a variety of techniques. Techniques based on the semiconductor industry legacy of using lithography patterning and material removal methods to etch semiconductor layers into nanowires are called “top-down” fabrication techniques. A typical example is the patterning of photoresist lines on top of a silicon-on-insulator layer followed by the removal of excess silicon using a plasma etch tool in order to create silicon nanowires. Another example is the patterning of an array of “dots” on a silicon substrate and the use of plasma etching to fabricate vertical silicon columns. Techniques based on the direct epitaxial growth of a nanowire from a seeding substrate without using material removal techniques are called “bottom-up” growth techniques. The classical example is the vapor–liquid–solid (VLS) growth of silicon nanowires on a silicon substrate using gold eutectic droplets [1,2].
Top-down fabrication techniques
In this section, the more common “top-down” fabrication techniques are described. They are typically based on process steps used following the semiconductor industry legacy by combining patterning using lithography and material removal using etching tools allowing the shaping of thin semiconductor films into nanowire structures.
Horizontal nanowires
Semiconductor nanowires can be fabricated using either semiconductor-on-insulator wafers or bulk semiconductor wafers. In the case of silicon, nanowires can be made using a silicon-on-insulator (SOI) wafer. The silicon film thickness can be trimmed down to the desired value using oxidation and wet oxide strip in a buffered hydrofluoric acid (HF) solution [3,4]. The lateral dimensions of the nanowire are usually defined using e-beam lithography permitting patterning of very narrow lines [5,6,7]. Other techniques, such as the use of block copolymer self-assembly, can be used to define narrow polymer parallel lines and use them as a template for pattern transfer onto a semiconductor. Directed self-assembly of block copolymers is capable of achieving high-density patterning with critical dimensions approaching 5 nm. High-density arrays of aligned silicon nanowires by directed self-assembly of a PS-b-PMMA block copolymer has been demonstrated. The wires are formed with a pitch of 42 nm resulting in dense arrays (5 × 106 wires/cm) of unidirectional and isolated parallel silicon nanowires on an insulator substrate. This technique demonstrated the fabrication of nanowires with critical dimension ranging down to less than 10 nm [8,9].
After the era of bulk planar CMOS, trigate field-effect transistors (FinFETs), and fully depleted silicon-on-insulator (SOI), the semiconductor industry is now moving into the era of nanowire transistors. This book gives a comprehensive overview of the unique properties of nanowire transistors. It covers the basic physics of one-dimensional semiconductors, the electrical properties of nanowire devices, their fabrication, and their application in nanoelectronic circuits.
The book is divided into seven chapters:
Chapter 1: Introduction serves as an introduction to the other chapters. The reader is reminded of the exponential increase in complexity of integrated circuit electronics over the last 50 years, better known as “Moore's law.” Key to this increase has been the reduction in transistor size, which has occurred in a smooth, evolutionary fashion up to the first decade of the twenty-first century. Despite the introduction of technology boosters such as metal silicides, high-κdielectric gate insulators, copper metallization, and strained channels, evolutionary scaling reached a brick wall called “short-channel effects” in the years 2010–2015. Short-channel effects are a fundamental device physics showstopper and prevent proper operation of classical bulk MOSFETs at gate lengths below 20 nm. The only solution to this problem is the adoption of new transistor architectures such as fully depleted silicon-on-insulator (FDSOI) devices [1,2] or trigate/FinFET devices [3]. Ballistic transport of channel carriers, which replaces classical drift-diffusion transport, is also introduced in this chapter.
Chapter 2: Multigate and nanowire transistors first explains the origin of the short-channel effects that preclude the use of bulk MOS transistors for gate lengths smaller than 20 nm. Based on Maxwell's electrostatics equations, this chapter shows how the use of multigate and gate-all-around nanowire transistor architectures will allow one to push the limits of integration to gate lengths down to 5 nm and possibly beyond, provided the diameters of the nanowires are decreased accordingly. In semiconductor nanowire with diameters below approximately 10 nm (this value is temperature dependent and varies from one semiconductor material to another), the coherence length of electrons and holes can become comparable to or larger than the wire cross-sectional dimensions, and one-dimensional (1D) quantum confinement effects become observable. The formation of 1D energy subbands in narrow nanowire transistors gives rise to several effects such as an increase of energy band gap, oscillations of drain current when gate voltage is increased, and oscillations of gate capacitance with gate voltage (quantum capacitance effect).
This chapter introduces how electron and hole currents can be described in nanostructures with emphasis on how quantum mechanical effects arise when treating charge transport in small cross-section semiconductor nanowires. Discussion of the voltage sources that drive electrical behavior alongside the relationship of voltage to current in quantum mechanical systems leads to the property of conductance quantization. An overview of the relationship of charge carriers (electron, hole) scattering to mobility and the relationship to mean free paths is introduced. Transistor channels with length scales below or comparable to the mean free paths for electrons or holes are considered leading to quasi-ballistic transport. In the quasi-ballistic regime only a few scattering events can occur resulting in macroscopic properties such as mobility, diffusion, and drift velocity becoming inapplicable and charge carrier transport is no longer described by classical drift and diffusion mechanisms. The chapter concludes with an introduction to Green's function approaches, which are suitable for describing charge transport in the scattering regimes ranging from purely ballistic, to quasi-ballistic, to ohmic conduction.
Voltage sources
Semi-classical description
Before embarking on a discussion on how to calculate electron and hole currents in nanowire structures, it is useful to consider the physical description of a voltage source. A non-equilibrium condition is required to be built up across the nanowire or “device” region to provide the charge imbalance that gives rise to electric current. To understand how a battery or power supply acts to create such a non-equilibrium condition, the result of a voltage applied by a battery between two disconnected (open circuit) electrodes is examined. Within a battery, electrochemical cells provide a potential difference that results in a deficiency of electrons on the cathode (positive terminal) and an excess of charge on the anode (negative terminal). Figure 6.1 provides a simple depiction of a battery connected to two electrodes shown as metal regions with wires connecting them to a battery or other voltage source. It is assumed the wires are ideal conductors and the electrodes are metallic. Hence in a cathode electrons are pulled away from the metal electrode leaving a net positive charge behind, whereas an excess of negative charge is built on the anode.
As presented in Chapter 1, the use of a multigate architecture is a technology booster that allows improved electrostatic control of a channel region by the gate electrode, and therefore mitigates short-channel effects. Currently existing multigate architectures for the MOSFET are described, and then compared in terms of short-channel effect control. It is concluded that the gate-all-around structure associated with a nanowire-shaped semiconductor offers the best possible electrostatic control of a channel. Different effects arising from carrier confinement effects in semiconductor nanowires are considered. The chapter concludes with a discussion of novel phenomena arising from quantum confinement, such as the semimetal–semiconductor transition, band folding of the electronic structure in nanowires, and novel devices that can be devised on the nanometer length scale.
Introduction
In the classical planar MOSFET, the gate dielectric and gate electrode sit above the channel region. Electrostatic control of the channel by the gate is achieved through the capacitive coupling between the gate and the channel. To maintain transistor scaling laws, a reduction in the depths of the source and drain regions by the same factor as the gate length reduction is required. This reduces short-channel effects at the cost of rendering less effective the control of the channel region through source and drain voltages. High-κdielectrics are used as gate oxide materials to increase current drive without having to pay a stiff penalty in gate oxide leakage, which is in turn largely responsible for standby power consumption. Decreasing the equivalent gate oxide thickness (EOT) through the replacement of the silicon dioxide insulating layer by metallic oxides with higher dielectric constant improves the capacitive coupling between the gate and the channel, and thus also reduces short-channel effects.
The electrostatics of a planar, long-channel MOSFET can be reduced in a first approximation to a one-dimensional problem. Early textbooks on semiconductor device physics introduced the “gradual channel approximation,” which can be solved by Poisson's equation – the equation that governs the relationship between electric fields and electrical charges – in one dimension, vertically from the gate through the channel and down through the silicon substrate. Short-channel effects whereby electric fields from the source and the drain encroach laterally (horizontally) in the channel region introduce a second dimension to the problem. In planar MOSFETs on bulk silicon, short-channel effects become insurmountable once the gate length becomes smaller than approximately 15 to 20 nm.
From quantum mechanical concepts to practical circuit applications, this book presents a self-contained and up-to-date account of the physics and technology of nanowire semiconductor devices. It includes a unified account of the critical ideas central to low-dimensional physics and transistor physics which equips readers with a common framework and language to accelerate scientific and technological developments across the two fields. Detailed descriptions of novel quantum mechanical effects such as quantum current oscillations, the metal-to-semiconductor transition and the transition from classical transistor to single-electron transistor operation are described in detail, in addition to real-world applications in the fields of nanoelectronics, biomedical sensing techniques, and advanced semiconductor research. Including numerous illustrations to help readers understand these phenomena, this is an essential resource for researchers and professional engineers working on semiconductor devices and materials in academia and industry.
A comprehensive overview of the basic principles of vortex dynamics in superfluids, this book addresses the problems of vortex dynamics in all three superfluids available in laboratories (4He, 3He, and BEC of cold atoms) alongside discussions of the elasticity of vortices, forces on vortices, and vortex mass. Beginning with a summary of classical hydrodynamics, the book guides the reader through examinations of vortex dynamics from large scales to the microscopic scale. Topics such as vortex arrays in rotating superfluids, bound states in vortex cores and interaction of vortices with quasiparticles are discussed. The final chapter of the book considers implications of vortex dynamics to superfluid turbulence using simple scaling and symmetry arguments. Written from a unified point of view that avoids complicated mathematical approaches, this text is ideal for students and researchers working with vortex dynamics in superfluids, superconductors, magnetically ordered materials, neutron stars and cosmological models.
Up to now we considered isotropic superfluids, in which gauge invariance was broken but they remained invariant with respect to any three-dimensional rotation. In particular, in the Fermi superfluids the order parameter, or gap ∆, was a scalar independent of the direction. This means that the wave function of Cooper pairs was in the s state with zero orbital angular momentum and spin. Superconductors with such symmetry of the order parameter are called s-wave superconductors. In superfluid 3He the Cooper pair has a total spin and a total orbital moment equal to 1 (in unit ħ). Superconductors (charged superfluids), in which Cooper pairs have orbital momentum and spin equal to 1, are called spin-triplet or p-wave superconductors. In p-wave superfluids the order parameter is a 3 × 3 matrix with complex elements (18 parameters) in general (Vollhardt and Wölfle, 1990).
We focus our attention on the A phase of superfluid 3He, for which the order parameter matrix is a direct product of two three-dimensional vectors, which correspond to wave functions with spin 1 in the spin space and with orbital moment 1 in the orbital space. The unit vector d in the spin space determines the axis along which the spin of the Cooper pair exactly vanishes, although the spin modulus is equal to 1. Spin components along any other axis also vanish but only on average. So this spin wave function has no spin polarisation, and the state is analogous to the spin state in antiferromagnets with d being an analogue of the antiferromagnetic vector. In the orbital space there are two orthogonal unit vectors m and n, which determine a complex unit vector and a unit vector l = m × n. The vector l is called the orbital vector. It delineates the axis along which the orbital moment of the Cooper pair is directed. Neutral and charged superfluids with such an order parameter are called chiral or px + ipy superfluids. So the condensate of Cooper pairs has a spontaneous angular momentum along l, which is called an intrinsic angular momentum. In charged superfluids (px + ipy-wave superconductors) the intrinsic angular momentum leads to spontaneous magnetisation.
Thermal and quantum nucleation of vortices in superfluids attracted the attention of theorists long ago (Iordanskii, 1965b; Langer and Fisher, 1967; Muirihead et al., 1984). The quantum nucleation of vortices by superflow in small orifices (Davis et al., 1992; Ihas et al., 1992) and by moving ions (Hendry et al., 1988) has been reported.
The process of vortex nucleation is crucial for onset of essential dissipation when superfluid velocities reach the critical velocity for penetration of vortices into a container. The original state is a metastable state with a persistent vortex-free superfluid flow. Vortex nucleation is necessary for transition to a state with a smaller superfluid velocity (and eventually to the stable equilibrium state with zero velocity) in the case of uniform flows in channels, or for transition to solid body rotation with an array of straight vortices parallel to the rotation axis in the case of rotating containers. In the process of vortex nucleation a small vortex loop appears, which grows in size. Eventually the vortex loop transforms to a straight vortex line in the case of rotation, or the vortex line crosses the channel crosssection decreasing the phase difference between ends of the channel by 2π (the phase slip). The latter process is illustrated in Fig. 11.1. Although vortex nucleation is a key process, which determines critical velocities, the problem of critical velocities does not reduce to the nucleation problem. The theory of critical velocities requires introduction of additional definitions and assumptions. One can find discussion of critical velocities with relevant references elsewhere (Donnelly, 1991; Varoquaux, 2015).
Vortex nucleation is possible due to either thermal or quantum fluctuations in the fluid. This section addresses the Iordanskii–Langer–Fisher theory of thermal nucleation (Iordanskii, 1965b; Langer and Fisher, 1967). The rate of thermal nucleation of vortices is governed by the Arrhenius law ∝ e −Em/T. The energetic barrier Em is determined by a maximum of the energy of a vortex loop in the process of its growth.
The motion of vortices has been an area of study for more than a century. During the classical period of vortex dynamics, from the late 1800s, many interesting properties of vortices were discovered, beginning with the notable Kelvin waves propagating along an isolated vortex line (Thompson, 1880). The main object of theoretical studies at that time was a dissipationless perfect fluid (Lamb, 1997). It was difficult for the theory to find a common ground with experiment since any classical fluid exhibits viscous effects. The situation changed after the works of Onsager (1949) and Feynman (1955) who revealed that rotating superfluids are threaded by an array of vortex lines with quantised circulation. With this discovery, the quantum period of vortex dynamics began. Rotating superfluid 4He provided the testing ground for the theories of vortex motion developed for the perfect fluid. At the same time, some effects needed an extension of the theory to include twofluid effects, and the quantum period of vortex studies was marked by progress in the understanding of vortex dynamics in the framework of the two-fluid theory. The first step in this direction was taken by Hall and Vinen (1956a), who introduced the concept of mutual friction between vortices and the normal part of the superfluid and derived the law of vortex motion in two-fluid hydrodynamics. Hall (1958) and Andronikashvili et al. (1961) were the first to study experimentally the elastic properties of vortex lines using torsional oscillators. This made it possible to observe Kelvin waves with a spectrum modified by the interaction between vortices. Elastic deformations of vortex lines were caused by pinning of vortices at solid surfaces confining the superfluid. Vortex pinning was another important concept, which emerged during the study of dynamics of quantised vortices.
The third important theoretical framework, invented to describe vortex motion in rotating superfluids, was so-called macroscopic hydrodynamics. This relied on a coarse-graining procedure of averaging hydrodynamical equations over scales much larger than the intervortex spacing. Such hydrodynamics was used in the pioneering work on dynamics of superfluid vortices by Hall and Vinen (1956a) and further developed by Hall (1960) and Bekarevich and Khalatnikov (1961). It was a continuum theory similar to the elasticity theory. However, it only included bending deformations of vortex lines and ignored the crystalline order of the vortex array.