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2D Quantum Simulation of MOSFET Using the Non Equilibrium Green's Function Method

The objectives this viewgraph presentation summarizes include: (1) the development of a quantum mechanical simulator for ultra short channel MOSFET simulation, including theory, physical approximations, and computer code; (2) explore physics that is not accessible by semiclassical methods; (3) benchmarking of semiclassical and classical methods; and (4) study other two-dimensional devices and molecular structure, from discretized Hamiltonian to tight-binding Hamiltonian.

Svizhenko, Alexel↗

Femtolensing: Beyond the semiclassical approximation

Femtolensoing is a gravitational lensing effect in which the magnification is a function not only of the position and sizes of the source and lens, but also of the wavelength of light. Femtolensing is the only known effect of 10(exp -13) - 10(exp -16) solar mass) dark-matter objects and may possibly be detectable in cosmological gamma-ray burst spectra. We present a new and efficient algorithm for femtolensing calculation in general potentials. The physical optics results presented here differ at low frequencies from the semiclassical approximation, in which the flux is attributed to a finite number of mutually coherent images. At higher frequencies, our results agree well with the semicalssical predictions. Applying our method to a point-mass lens with external shear, we find complex events that have structure at both large and small spectral resolution. In this way, we show that femtolensing may be observable for lenses up to 10(exp -11) solar mass, much larger than previously believed. Additionally, we discuss the possibility of a search femtolensing of white dwarfs in the Large Magellanic Cloud at optical wavelengths.

Ulmer, Andrew↗

2D Quantum Transport Modeling in Nanoscale MOSFETs

With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density- gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions, oxide tunneling and phase-breaking scattering are treated on equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. Quantum simulations are focused on MIT 25, 50 and 90 nm "well- tempered" MOSFETs and compared to classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. These results are quantitatively consistent with I D Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and sub-threshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

Svizhenko, Alexei↗

2D Quantum Mechanical Study of Nanoscale MOSFETs

With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density-gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. We present the results of our simulations of MIT 25, 50 and 90 nm "well-tempered" MOSFETs and compare them to those of classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. Surprisingly, the self-consistent potential profile shows lower injection barrier in the channel in quantum case. These results are qualitatively consistent with ID Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and subthreshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

Svizhenko, Alexei↗

Can the Hypothesis 'Photon Interferes only with Itself' be Reconciled with Superposition of Light from Multiple Beams or Sources?

Any superposition effect as measured (SEM) by us is the summation of simultaneous stimulations experienced by a detector due to the presence of multiple copies of a detectee each carrying different values of the same parameter. We discus the cases with light beams carrying same frequency for both diffraction and multiple beam Fabry-Perot interferometer and also a case where the two superposed light beams carry different frequencies. Our key argument is that if light really consists of indivisible elementary particle, photon, then it cannot by itself create superposition effect since the state vector of an elementary particle cannot carry more than one values of any parameter at the same time. Fortunately, semiclassical model explains all light induced interactions using quantized atoms and classical EM wave packet. Classical physics, with its deeper commitment to Reality Ontology, was better prepared to nurture the emergence of Quantum Mechanics and still can provide guidance to explore nature deeper if we pay careful attention to successful classical formulations like Huygens-Fresnel diffraction integral.

Roychoudhuri, Chandrasekhar↗

Semiclassical theory of unimolecular dissociation induced by a laser field

A semiclassical nonperturbative theory of direct photodissociation in a laser field is developed in which photon absorption and dissociation are treated in a unified fashion. This is achieved by visualizing nuclear dynamics as a representative particle moving on electronic-field surfaces. Methods are described for calculating dissociation rates and probabilities by Monte Carlo selection of initial conditions and integration of classical trajectories on these surfaces. This unified theory reduces to the golden rule expression in the weak-field and short-time limits, and predicts nonlinear behavior, i.e., breakdown of the golden rule expression in intense fields. Field strengths above which lowest-order perturbation theory fails to work have been estimated for some systems. Useful physical insights provided by the electronic-field representation have been illustrated. Intense field effects are discussed which are amenable to experimental observation. The semiclassical methods used here are also applicable to multiple-surface dynamics in fieldfree unimolecular and bimolecular reactions.

Yuan, J.-M.↗

Where Lies the Quantumness Behind Detecting Electromagnetic Waves for Frequencies from Infrared and Up?

The synthesis of Newtonian concept of corpuscles during emission with Huygens’ concept of secondary-wavelets during propagation implies that all EM radiations from quantized atoms and molecules are released as discrete amount of energies. However, they propagate out as time-finite Maxwellian light pulses. Huygens also underscored that his secondary wavelets keep propagating as independent pulses in the absence of any interacting medium, or until intercepted by an interface with a medium or a detector. Then we use the Superposition Principle and the coherence theory to derive Einstein’s photoelectric equation by summing innumerable random time-finite pulses. This process driven approach should yield the characteristic statistical variations of photoelectron current pulses, as generated by photodetectors for different kinds of light sources. Lamb & Scully originally proposed this semiclassical approach without assuming that light actually consists of time finite pulses. The quantumness remains confined within the excitation and de-excitations processes in the material particles.

Electromagnetic Waves↗

Simulation of Laser Cooling and Trapping in Engineering Applications

An advanced computer code is undergoing development for numerically simulating laser cooling and trapping of large numbers of atoms. The code is expected to be useful in practical engineering applications and to contribute to understanding of the roles that light, atomic collisions, background pressure, and numbers of particles play in experiments using laser-cooled and -trapped atoms. The code is based on semiclassical theories of the forces exerted on atoms by magnetic and optical fields. Whereas computer codes developed previously for the same purpose account for only a few physical mechanisms, this code incorporates many more physical mechanisms (including atomic collisions, sub-Doppler cooling mechanisms, Stark and Zeeman energy shifts, gravitation, and evanescent-wave phenomena) that affect laser-matter interactions and the cooling of atoms to submillikelvin temperatures. Moreover, whereas the prior codes can simulate the interactions of at most a few atoms with a resonant light field, the number of atoms that can be included in a simulation by the present code is limited only by computer memory. Hence, the present code represents more nearly completely the complex physics involved when using laser-cooled and -trapped atoms in engineering applications. Another advantage that the code incorporates is the possibility to analyze the interaction between cold atoms of different atomic number. Some properties that cold atoms of different atomic species have, like cross sections and the particular excited states they can occupy when interacting with each other and light fields, play important roles not yet completely understood in the new experiments that are under way in laboratories worldwide to form ultracold molecules. Other research efforts use cold atoms as holders of quantum information, and more recent developments in cavity quantum electrodynamics also use ultracold atoms to explore and expand new information-technology ideas. These experiments give a hint on the wide range of applications and technology developments that can be tackled using cold atoms and light fields. From more precise atomic clocks and gravity sensors to the development of quantum computers, there will be a need to completely understand the whole ensemble of physical mechanisms that play a role in the development of such technologies. The code also permits the study of the dynamic and steady-state operations of technologies that use cold atoms. The physical characteristics of lasers and fields can be time-controlled to give a realistic simulation of the processes involved such that the design process can determine the best control features to use. It is expected that with the features incorporated into the code it will become a tool for the useful application of ultracold atoms in engineering applications. Currently, the software is being used for the analysis and understanding of simple experiments using cold atoms, and for the design of a modular compact source of cold atoms to be used in future research and development projects. The results so far indicate that the code is a useful design instrument that shows good agreement with experimental measurements (see figure), and a Windows-based user-friendly interface is also under development.

Ramirez-Serrano, Jaime↗

Predictive Models for Semiconductor Device Design and Processing

The device feature size continues to be on a downward trend with a simultaneous upward trend in wafer size to 300 mm. Predictive models are needed more than ever before for this reason. At NASA Ames, a Device and Process Modeling effort has been initiated recently with a view to address these issues. Our activities cover sub-micron device physics, process and equipment modeling, computational chemistry and material science. This talk would outline these efforts and emphasize the interaction among various components. The device physics component is largely based on integrating quantum effects into device simulators. We have two parallel efforts, one based on a quantum mechanics approach and the second, a semiclassical hydrodynamics approach with quantum correction terms. Under the first approach, three different quantum simulators are being developed and compared: a nonequlibrium Green's function (NEGF) approach, Wigner function approach, and a density matrix approach. In this talk, results using various codes will be presented. Our process modeling work focuses primarily on epitaxy and etching using first-principles models coupling reactor level and wafer level features. For the latter, we are using a novel approach based on Level Set theory. Sample results from this effort will also be presented.

Meyyappan, Meyya↗

Nano-Transistor Modeling: Two Dimensional Green's Function Method

Two quantum mechanical effects that impact the operation of nanoscale transistors are inversion layer energy quantization and ballistic transport. While the qualitative effects of these features are reasonably understood, a comprehensive study of device physics in two dimensions is lacking. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL (Drain Induced Barrier Lowering), and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density-gradient and quantum-corrected MEDICI).

Svizhenko, Alexei↗

On Perspectives of Generating Quasi-Fock State via Resonant Self-Phase-Modulation

Optical resonators with cubic nonlinearity were among the ?rst simplest physical systems proposed for generation of squeezed states of light as well as for veri?cation of quantum nondemolition measurement concept. These conventional squeezed states are characterized with Gaussian statistics and positive Wigner function and are frequently treated as semiclassical. In contrast, it is known that the quantum states resulting from the higher order self-phase modulation are characterized with negative Wigner function. Such states can be transformed to an imperfect Fock state via classical biasing. Using these known features, we have developed an experiment strategy for observation and characterization of the nonclassical state in a system based on a high-Q nonlinear optical microcavity. We discuss technical limitations for the state observation associated with the losses in the system and technical noise of the classical optical sources involved in the measurement.

Bilenko, I. A.↗

Two-Dimensional Quantum Model of a Nanotransistor

A mathematical model, and software to implement the model, have been devised to enable numerical simulation of the transport of electric charge in, and the resulting electrical performance characteristics of, a nanotransistor [in particular, a metal oxide/semiconductor field-effect transistor (MOSFET) having a channel length of the order of tens of nanometers] in which the overall device geometry, including the doping profiles and the injection of charge from the source, gate, and drain contacts, are approximated as being two-dimensional. The model and software constitute a computational framework for quantitatively exploring such device-physics issues as those of source-drain and gate leakage currents, drain-induced barrier lowering, and threshold voltage shift due to quantization. The model and software can also be used as means of studying the accuracy of quantum corrections to other semiclassical models.

Govindan, T. R.↗

Simplified Formulae System for Resonant Inverse Compton Scattering of a Fast Electron in an Intense Magnetic Field

We present simple analytical formulae for the emission spectrum and total power of a special kind of resonant inverse Compton scattering (RICS) of a relativistic electron in an intense magnetic field. In contrast with the available formulae system, we obtain a markedly simplified one based on the semiclassical quantum theory, which is more understandable for people who are unfamiliar with quantum electrodynamics. We show that the RICS process, under an appropriate 'accommodation condition' derived in this paper, is predominantly much more efficient than the coexistent ordinary inverse Compton scattering, and produces highly beamed high-frequency radiation with moderately good monochromaticity. Our formulae are simple to use - thus offering a lucid physical intuition for the theory - and may find wide applications in hard X-ray and gamma-ray astrophysics.

You, J. H.↗

Comparison of Quantum Mechanical and Empirical Potential Energy Surfaces and Computed Rate Coefficients for N2 Dissociation

Physics-based modeling of hypersonic flows is predicated on the availability of chemical reaction rate coefficients and cross sections for the collisional processes. This approach has been built around the use of quantum mechanical calculations to describe the interaction between the colliding particles. In this approach a potential energy surface (PES) is computed by solving the electronic Schrödinger equation and collision cross sections are determined for that PES using classical, semiclassical or quantum mechanical scattering methods. The rate coefficients are computed by integrating the thermally weighted cross sections. State-to-state rate coefficients are determined by only integrating over a thermal distribution of collisional energies. Finally, thermal rate coefficients are determined by summation of the state-to-state rate coefficients for reactions of molecules in all relevant ro-vibrational energy levels. If the flow is in thermal non-equilibrium, the translational, vibrational and rotational energy modes can be represented in different ways: three unique temperatures can be used to describe the distributions, the populations of individual ro-vibrational energy levels can be determined by solving the Master Equation, or through the use of direct simulation in particle-based Monte Carlo sampling. The PES-to-rate coefficient approach had been proposed and attempted in the early days of digital computing, but it is only in the last 15 years that computer hardware and software have been up to the task of calculating accurate interatomic and intermolecular potentials.

Jaffe, Richard L.↗

Scale covariance and G-varying cosmology. II - Thermodynamics, radiation, and the 3 K background

Within the framework of a scale-covariant theory of gravitation, a semiclassical description of particles and photons is given. Thermodynamic relations consistent with the modified conservation equations are derived. Application to a system of radiation shows that the observed 3-K background radiation can be interpreted, within the present framework, as a remnant of equilibrium radiation in the past. As the theory postulates a nonstandard coupling between gravitation and electrodynamics, the assumption that Einstein's theory of gravitation is unchanged forces modifications at the atomic level. The use of Minkowskian spacetime in atomic physics is found to be adequate only over small, but not large, time scales compared with the age of the universe. As a result, a relation between energy and the frequency of a free photon is demonstrated. Possible observational consequences of this relation are discussed.

Canuto, V. M.↗

Semiclassical Calculations of Stark Broadening Parameters of He I Lines Revisited

Stark broadening parameters for spectral lines of He I lines, calculated using numerically improved semiclassical formalism of Griem are reported and favorably compared with the original results of Griem. The comparison with other sets of data is carried out and results presented also. In addition, new Stark broadening parameters are available now in extended electron temperature range from 2500 K to 80000 K.

Physics↗