There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

Many materials systems are currently under consideration as potential replacements for SiO2 as the gate dielectric material for sub-0.1 μm complementary metal–oxide–semiconductor (CMOS) technology. A systematic consideration of the required properties of gate dielectrics indicates that the key guidelines for selecting an alternative gate dielectric are (a) permittivity, band gap, and band alignment to silicon, (b) thermodynamic stability, (c) film morphology, (d) interface quality, (e) compatibility with the current or expected materials to be used in processing for CMOS devices, (f) process compatibility, and (g) reliability. Many dielectrics appear favorable in some of these areas, but very few materials are promising with respect to all of these guidelines. A review of current work and literature in the area of alternate gate dielectrics is given. Based on reported results and fundamental considerations, the pseudobinary materials systems offer large flexibility and show the most promise toward success...

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High-κ gate dielectrics: Current status and materials properties considerations

The family of 2D transition metal carbides, carbonitrides and nitrides (collectively referred to as MXenes) has expanded rapidly since the discovery of Ti3C2 in 2011. The materials reported so far always have surface terminations, such as hydroxyl, oxygen or fluorine, which impart hydrophilicity to their surfaces. About 20 different MXenes have been synthesized, and the structures and properties of dozens more have been theoretically predicted. The availability of solid solutions, the control of surface terminations and a recent discovery of multi-transition-metal layered MXenes offer the potential for synthesis of many new structures. The versatile chemistry of MXenes allows the tuning of properties for applications including energy storage, electromagnetic interference shielding, reinforcement for composites, water purification, gas- and biosensors, lubrication, and photo-, electro- and chemical catalysis. Attractive electronic, optical, plasmonic and thermoelectric properties have also been shown. In this Review, we present the synthesis, structure and properties of MXenes, as well as their energy storage and related applications, and an outlook for future research. More than twenty 2D carbides, nitrides and carbonitrides of transition metals (MXenes) have been synthesized and studied, and dozens more predicted to exist. Highly electrically conductive MXenes show promise in electrical energy storage, electromagnetic interference shielding, electrocatalysis, plasmonics and other applications.

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2D metal carbides and nitrides (MXenes) for energy storage

Graphene-Like Two-Dimensional Materials

The compelling demand for higher performance and lower power consumption in electronic systems is the main driving force of the electronics industry's quest for devices and/or architectures based on new materials. Here, we provide a review of electronic devices based on two-dimensional materials, outlining their potential as a technological option beyond scaled complementary metal-oxide-semiconductor switches. We focus on the performance limits and advantages of these materials and associated technologies, when exploited for both digital and analog applications, focusing on the main figures of merit needed to meet industry requirements. We also discuss the use of two-dimensional materials as an enabling factor for flexible electronics and provide our perspectives on future developments.

Electronics based on two-dimensional materials

Steep subthreshold swing transistors based on interband tunneling are examined toward extending the performance of electronics systems. In particular, this review introduces and summarizes progress in the development of the tunnel field-effect transistors (TFETs) including its origin, current experimental and theoretical performance relative to the metal-oxide-semiconductor field-effect transistor (MOSFET), basic current-transport theory, design tradeoffs, and fundamental challenges. The promise of the TFET is in its ability to provide higher drive current than the MOSFET as supply voltages approach 0.1 V.

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Low-Voltage Tunnel Transistors for Beyond CMOS Logic

A formula is derived, which shows that the subthreshold swing of field-effect interband tunnel transistors is not limited to 60 mV/dec as in the MOSFET. This formula is consistent with two recent reports of interband tunnel transistors, which show lower than 60-mV/dec subthreshold swings and provides two simple design principles for configuring these transistors. One of these principles suggests placing the gate adjacent to the tunnel junction. Modeling of this configuration verifies that sub-60-mV/dec swing is possible.

Low-subthreshold-swing tunnel transistors

Progress in the development of tunnel field-effect transistors (TFETs) is reviewed by comparing experimental results and theoretical predictions against 16-nm FinFET CMOS technology. Experiments lag the projections, but sub-threshold swings less than 60 mV/decade are now reported in 14 TFETs. The lowest measured sub-threshold swings approaches 20 mV/decade, however, the measurements at these lowest values are not based on many points. The highest current at which sub-threshold swing below 60 mV/decade is observed is in the range 1–10 nA/ \({{\mu }}\) m. A common approach to TFET characterization is proposed to facilitate future comparisons.

Tunnel Field-Effect Transistors: State-of-the-Art

Sooner or later, fundamental limitations destine complementary metal-oxide-semiconductor (CMOS) scaling to a conclusion. A number of unique switches have been proposed as replacements, many of which do not even use electron charge as the state variable. Instead, these nanoscale structures pass tokens in the spin, excitonic, photonic, magnetic, quantum, or even heat domains. Emergent physical behaviors and idiosyncrasies of these novel switches can complement the execution of specific algorithms or workloads by enabling quite unique architectures. Ultimately, exploiting these unusual responses will extend throughput in high-performance computing. Alternative tokens also require new transport mechanisms to replace the conventional chip wire interconnect schemes of charge-based computing. New intrinsic limits to scaling in post-CMOS technologies are likely to be bounded ultimately by thermodynamic entropy and Shannon noise.

Alan Seabaugh

Papers

Electronics based on two-dimensional materials

Low-Voltage Tunnel Transistors for Beyond CMOS Logic

Low-subthreshold-swing tunnel transistors

Tunnel Field-Effect Transistors: State-of-the-Art

Device and Architecture Outlook for Beyond CMOS Switches