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122 records · Page 7

Enhancing Spin Filters by Use of Bulk Inversion Asymmetry

Theoretical calculations have shown that the degrees of spin polarization in proposed nonmagnetic semiconductor resonant tunneling spin filters could be increased through exploitation of bulk inversion asymmetry (BIA). These enhancements would be effected through suitable orientation of spin collectors (or spin-polarization- inducing lateral electric fields), as described below. Spin filters -- more precisely, sources of spin-polarized electron currents -- have been sought for research on, and development of, the emerging technological discipline of spintronics (spin-transport electronics). The proposed spin filters were to be based on the Rashba effect, which is an energy splitting of what would otherwise be degenerate quantum states, caused by a spinorbit interaction in conjunction with a structural-inversion asymmetry (SIA) in the presence of interfacial electric fields in a semiconductor heterostructure. The magnitude of the energy split is proportional to the electron wave number. In a spin filter, the spin-polarized currents produced by the Rashba effect would be extracted by quantum-mechanical resonant tunneling.

Ting, David↗

Arrays of Nano Tunnel Junctions as Infrared Image Sensors

Infrared image sensors based on high density rectangular planar arrays of nano tunnel junctions have been proposed. These sensors would differ fundamentally from prior infrared sensors based, variously, on bolometry or conventional semiconductor photodetection. Infrared image sensors based on conventional semiconductor photodetection must typically be cooled to cryogenic temperatures to reduce noise to acceptably low levels. Some bolometer-type infrared sensors can be operated at room temperature, but they exhibit low detectivities and long response times, which limit their utility. The proposed infrared image sensors could be operated at room temperature without incurring excessive noise, and would exhibit high detectivities and short response times. Other advantages would include low power demand, high resolution, and tailorability of spectral response. Neither bolometers nor conventional semiconductor photodetectors, the basic detector units as proposed would partly resemble rectennas. Nanometer-scale tunnel junctions would be created by crossing of nanowires with quantum-mechanical-barrier layers in the form of thin layers of electrically insulating material between them (see figure). A microscopic dipole antenna sized and shaped to respond maximally in the infrared wavelength range that one seeks to detect would be formed integrally with the nanowires at each junction. An incident signal in that wavelength range would become coupled into the antenna and, through the antenna, to the junction. At the junction, the flow of electrons between the crossing wires would be dominated by quantum-mechanical tunneling rather than thermionic emission. Relative to thermionic emission, quantum mechanical tunneling is a fast process.

Son, Kyung-Ah↗

Open-Source Software for Modeling of Nanoelectronic Devices

The Nanoelectronic Modeling 3-D (NEMO 3-D) computer program has been upgraded to open-source status through elimination of license-restricted components. The present version functions equivalently to the version reported in "Software for Numerical Modeling of Nanoelectronic Devices" (NPO-30520), NASA Tech Briefs, Vol. 27, No. 11 (November 2003), page 37. To recapitulate: NEMO 3-D performs numerical modeling of the electronic transport and structural properties of a semiconductor device that has overall dimensions of the order of tens of nanometers. The underlying mathematical model represents the quantum-mechanical behavior of the device resolved to the atomistic level of granularity. NEMO 3-D solves the applicable quantum matrix equation on a Beowulf-class cluster computer by use of a parallel-processing matrix vector multiplication algorithm coupled to a Lanczos and/or Rayleigh-Ritz algorithm that solves for eigenvalues. A prior upgrade of NEMO 3-D incorporated a capability for a strain treatment, parameterized for bulk material properties of GaAs and InAs, for two tight-binding submodels. NEMO 3-D has been demonstrated in atomistic analyses of effects of disorder in alloys and, in particular, in bulk In(x)Ga(1-x)As and in In(0.6)Ga(0.4)As quantum dots.

Oyafuso, Fabiano↗

Chirped-Superlattice, Blocked-Intersubband QWIP

An Al(x)Ga(1-x)As/GaAs quantum-well infrared photodetector (QWIP) of the blocked-intersubband-detector (BID) type, now undergoing development, features a chirped (that is, aperiodic) superlattice. The purpose of the chirped superlattice is to increase the quantum efficiency of the device. A somewhat lengthy background discussion is necessary to give meaning to a brief description of the present developmental QWIP. A BID QWIP was described in "MQW Based Block Intersubband Detector for Low-Background Operation" (NPO-21073), NASA Tech Briefs Vol. 25, No. 7 (July 2001), page 46. To recapitulate: The BID design was conceived in response to the deleterious effects of operation of a QWIP at low temperature under low background radiation. These effects can be summarized as a buildup of space charge and an associated high impedance and diminution of responsivity with increasing modulation frequency. The BID design, which reduces these deleterious effects, calls for a heavily doped multiple-quantum-well (MQW) emitter section with barriers that are thinner than in prior MQW devices. The thinning of the barriers results in a large overlap of sublevel wave functions, thereby creating a miniband. Because of sequential resonant quantum-mechanical tunneling of electrons from the negative ohmic contact to and between wells, any space charge is quickly neutralized. At the same time, what would otherwise be a large component of dark current attributable to tunneling current through the whole device is suppressed by placing a relatively thick, undoped, impurity-free AlxGa1 x As blocking barrier layer between the MQW emitter section and the positive ohmic contact. [This layer is similar to the thick, undoped Al(x)Ga(1-x)As layers used in photodetectors of the blocked-impurity-band (BIB) type.] Notwithstanding the aforementioned advantage afforded by the BID design, the responsivity of a BID QWIP is very low because of low collection efficiency, which, in turn, is a result of low electrostatic- potential drop across the superlattice emitter. Because the emitter must be electrically conductive to prevent the buildup of space charge in depleted quantum wells, most of the externally applied bias voltage drop occurs across the blocking-barrier layer. This completes the background discussion. In the developmental QWIP, the periodic superlattice of the prior BID design is to be replaced with the chirped superlattice, which is expected to provide a built-in electric field. As a result, the efficiency of collection of photoexcited charge carriers (and, hence, the net quantum efficiency and thus responsivity) should increase significantly.

Gunapala, Sarath↗

Electron-Spin Filters Based on the Rashba Effect

Semiconductor electron-spin filters of a proposed type would be based on the Rashba effect, which is described briefly below. Electron-spin filters more precisely, sources of spin-polarized electron currents have been sought for research on, and development of, the emerging technological discipline of spintronics (spin-based electronics). There have been a number of successful demonstrations of injection of spin-polarized electrons from diluted magnetic semiconductors and from ferromagnetic metals into nonmagnetic semiconductors. In contrast, a device according to the proposal would be made from nonmagnetic semiconductor materials and would function without an applied magnetic field. The Rashba effect, named after one of its discoverers, is an energy splitting, of what would otherwise be degenerate quantum states, caused by a spin-orbit interaction in conjunction with a structural-inversion asymmetry in the presence of interfacial electric fields in a semiconductor heterostructure. The magnitude of the energy split is proportional to the electron wave number. The present proposal evolved from recent theoretical studies that suggested the possibility of devices in which electron energy states would be split by the Rashba effect and spin-polarized currents would be extracted by resonant quantum-mechanical tunneling. Accordingly, a device according to the proposal would be denoted an asymmetric resonant interband tunneling diode [a-RITD]. An a-RITD could be implemented in a variety of forms, the form favored in the proposal being a double-barrier heterostructure containing an asymmetric quantum well. It is envisioned that a-RITDs would be designed and fabricated in the InAs/GaSb/AlSb material system for several reasons: Heterostructures in this material system are strong candidates for pronounced Rashba spin splitting because InAs and GaSb exhibit large spin-orbit interactions and because both InAs and GaSb would be available for the construction of highly asymmetric quantum wells. This mate-rial system affords a variety of energy-band alignments that can be exploited to obtain resonant tunneling and other desired effects. The no-common-atom InAs/GaSb and InAs/AlSb interfaces would present opportunities for engineering interface potentials for optimizing Rashba spin splitting.

Ting, David Z.-Y.↗

Self-Supervised Dynamical Systems

Some progress has been made in a continuing effort to develop mathematical models of the behaviors of multi-agent systems known in biology, economics, and sociology (e.g., systems ranging from single or a few biomolecules to many interacting higher organisms). Living systems can be characterized by nonlinear evolution of probability distributions over different possible choices of the next steps in their motions. One of the main challenges in mathematical modeling of living systems is to distinguish between random walks of purely physical origin (for instance, Brownian motions) and those of biological origin. Following a line of reasoning from prior research, it has been assumed, in the present development, that a biological random walk can be represented by a nonlinear mathematical model that represents coupled mental and motor dynamics incorporating the psychological concept of reflection or self-image. The nonlinear dynamics impart the lifelike ability to behave in ways and to exhibit patterns that depart from thermodynamic equilibrium. Reflection or self-image has traditionally been recognized as a basic element of intelligence. The nonlinear mathematical models of the present development are denoted self-supervised dynamical systems. They include (1) equations of classical dynamics, including random components caused by uncertainties in initial conditions and by Langevin forces, coupled with (2) the corresponding Liouville or Fokker-Planck equations that describe the evolutions of probability densities that represent the uncertainties. The coupling is effected by fictitious information-based forces, denoted supervising forces, composed of probability densities and functionals thereof. The equations of classical mechanics represent motor dynamics that is, dynamics in the traditional sense, signifying Newton s equations of motion. The evolution of the probability densities represents mental dynamics or self-image. Then the interaction between the physical and metal aspects of a monad is implemented by feedback from mental to motor dynamics, as represented by the aforementioned fictitious forces. This feedback is what makes the evolution of probability densities nonlinear. The deviation from linear evolution can be characterized, in a sense, as an expression of free will. It has been demonstrated that probability densities can approach prescribed attractors while exhibiting such patterns as shock waves, solitons, and chaos in probability space. The concept of self-supervised dynamical systems has been considered for application to diverse phenomena, including information-based neural networks, cooperation, competition, deception, games, and control of chaos. In addition, a formal similarity between the mathematical structures of self-supervised dynamical systems and of quantum-mechanical systems has been investigated.

Zak, Michail↗

Bit-Serial Adder Based on Quantum Dots

A proposed integrated circuit based on quantum-dot cellular automata (QCA) would function as a bit-serial adder. This circuit would serve as a prototype building block for demonstrating the feasibility of quantum-dots computing and for the further development of increasingly complex and increasingly capable quantum-dots computing circuits. QCA-based bit-serial adders would be especially useful in that they would enable the development of highly parallel and systolic processors for implementing fast Fourier, cosine, Hartley, and wavelet transforms. The proposed circuit would complement the QCA-based circuits described in "Implementing Permutation Matrices by Use of Quantum Dots" (NPO-20801), NASA Tech Briefs, Vol. 25, No. 10 (October 2001), page 42 and "Compact Interconnection Networks Based on Quantum Dots" (NPO-20855), which appears elsewhere in this issue. Those articles described the limitations of very-large-scale-integrated (VLSI) circuitry and the major potential advantage afforded by QCA. To recapitulate: In a VLSI circuit, signal paths that are required not to interact with each other must not cross in the same plane. In contrast, for reasons too complex to describe in the limited space available for this article, suitably designed and operated QCA-based signal paths that are required not to interact with each other can nevertheless be allowed to cross each other in the same plane without adverse effect. In principle, this characteristic could be exploited to design compact, coplanar, simple (relative to VLSI) QCA-based networks to implement complex, advanced interconnection schemes. To enable a meaningful description of the proposed bit-serial adder, it is necessary to further recapitulate the description of a quantum-dot cellular automation from the first-mentioned prior article: A quantum-dot cellular automaton contains four quantum dots positioned at the corners of a square cell. The cell contains two extra mobile electrons that can tunnel (in the quantum-mechanical sense) between neighboring dots within the cell. The Coulomb repulsion between the two electrons tends to make them occupy antipodal dots in the cell. For an isolated cell, there are two energetically equivalent arrangements (denoted polarization states) of the extra electrons. The cell polarization is used to encode binary information. Because the polarization of a nonisolated cell depends on Coulomb-repulsion interactions with neighboring cells, universal logic gates and binary wires could be constructed, in principle, by arraying QCA of suitable design in suitable patterns. Again, for reasons too complex to describe here, in order to ensure accuracy and timeliness of the output of a QCA array, it is necessary to resort to an adiabatic switching scheme in which the QCA array is divided into subarrays, each controlled by a different phase of a multiphase clock signal. In this scheme, each subarray is given time to perform its computation, then its state is frozen by raising its inter-dot potential barriers and its output is fed as the input to the successor subarray. The successor subarray is kept in an unpolarized state so it does not influence the calculation of preceding subarray. Such a clocking scheme is consistent with pipeline computation in the sense that each different subarray can perform a different part of an overall computation. In other words, QCA arrays are inherently suitable for pipeline and, moreover, systolic computations. This sequential or pipeline aspect of QCA would be utilized in the proposed bit-serial adders.

Fijany, Amir↗

A Quantum Band Model of the nu3 Fundamental of Methanol (CH3OH) and Its Application to Fluorcescence Spectra of Comets

Methanol (CH3OH) radiates efficiently at infrared wavelengths, dominating the C-H stretching region in comets, yet inadequate quantum-mechanical models have imposed limits on the practical use of its emission spectra. Accordingly, we constructed a new line-by-line model for the 3 fundamental band of methanol at 2844 / cm (3.52 micron) and applied it to interpret cometary fluorescence spectra. The new model permits accurate synthesis of line-by-line spectra for a wide range of rotational temperatures, ranging from 10 K to more than 400 K.We validated the model by comparing simulations of CH3OH fluorescent emission with measured spectra of three comets (C/2001 A2 LINEAR, C/2004 Q2 Machholz and 8P/Tuttle) acquired with high-resolution infrared spectrometers at high-altitude sites. The new model accurately describes the complex emission spectrum of the nu3 band, providing distinct rotational temperatures and production rates at greatly improved confidence levels compared with results derived from earlier fluorescence models. The new model reconciles production rates measured at infrared and radio wavelengths in C/2001 A2 (LINEAR). Methanol can now be quantified with unprecedented precision and accuracy in astrophysical sources through high-dispersion spectroscopy at infrared wavelengths

Villanueva, Geronimo L.↗

Kuang's Semi-Classical Formalism for Electron Capture Cross-Sections in Ion-Ion Collisions at few MeV's/nucleon: Application to ENA Modeling

Accurate estimates of electron-capture cross sections at energies relevant to energetic neutral atom (ENA) modeling (approx few MeV per nucleon) and for multi-electron ions must rely on first-principles approaches and/or detailed quantum-mechanical simulation of the collision process. Kuang's semi-classical approach offers a middle-ground, elegant and efficient way to arrive at these estimates. We shall present a sample application and current progress in applying and extending Kuang's formalism to ENA modeling.

Barghouty, A. F.↗

Kuang's Semi-Classical Formalism for Electron Capture Cross-Sections in Ion-Ion Collisions at Approximately to MeV/amu: Application to ENA Modeling

Recent discovery by STEREO A/B of energetic neutral hydrogen is spurring an interest and need for reliable estimates of electron capture cross sections at few MeVs per nucleon as well as for multi-electron ions. Required accuracy in such estimates necessitates detailed and involved quantum-mechanical calculations or expensive numerical simulations. For ENA modeling and similar purposes, a semi-classical approach offers a middle-ground approach. Kuang's semiclassical formalism to calculate electron-capture cross sections for single and multi-electron ions is an elegant and efficient method, but has so far been applied to limited and specific laboratory measurements and at somewhat lower energies. Our goals are to test and extend Kuang s method to all ion-atom and ion-ion collisions relevant to ENA modeling, including multi-electron ions and for K-shell to K-shell transitions.

Barghouty, A. F.↗

Kuang's Semi-Classical Formalism for Calculating Electron Capture Cross Sections: A Space- Physics Application

Accurate estimates of electroncapture cross sections at energies relevant to the modeling of the transport, acceleration, and interaction of energetic neutral atoms (ENA) in space (approximately few MeV per nucleon) and especially for multi-electron ions must rely on detailed, but computationally expensive, quantum-mechanical description of the collision process. Kuang's semi-classical approach is an elegant and efficient way to arrive at these estimates. Motivated by ENA modeling efforts for apace applications, we shall briefly present this approach along with sample applications and report on current progress.

Barghouty, A. F.↗

Slow-Neutron Scattering by Rotators. II

The methods developed in a previous paper for extending the neutron scattering formalism of Zemach and Glauber to any type of molecular rotator have been employed to derive generalized forms generalized forms of the differential cross sections for rotator scattering. A mass-ratio expansion for the treatment of the high-energy limit is illustrated on the classical cross section and then employed in the treatment of the more general quantum-mechanical expression for the differential cross section. The results apply to an arbitrarily asymmetric rotator. The very low energy approximation is carried out for the symmetric rotator, and the procedure is compared with the explicit summing of the partial cross sections for individual rotational transitions. The inelastic correction to the static approximation for interference scattering is calculated to an accuracy of first order in the mass ratios for the case of the symmetric rotator.

Volkin, Howard C.↗

Energies of Various Interactions Between Hydrogen and Helium Atoms and Ions

A compilation is made of those interactions between hydrogen and helium atoms and ions whose potential curves are well established by virtue of being based on experimental data or on essentially exact quantum-mechanical calculations. These potential curves have been fitted with well-known empirical forms which should be useful in calculations of transport properties involving these interactions.

Fallon, Robert J.↗

Predicting Melt Properties Using Atomistic Simulations With A Highly Accurate Physically Informed Neural Network Interatomic Potential

The use of a recently developed machine learning (ML) interatomic potential for molecular dynamics simulations of aluminum melt properties will be presented. Such properties are critical for process modeling in additive manufacturing, including the melt pool size, solidification, and formation of solidification microstructures. Direct first-principles modeling of these processes is computationally prohibitive whereas simulations employing ML potentials combine the high accuracy of quantum-mechanical methods with high computational speeds. The physically-informed neural network (PINN) method used herein, integrates a high-dimensional regression implemented by an artificial neural network with a physics-based bond-order interatomic potential. PINN potentials can accurately reproduce many properties of aluminum in both crystalline-solid and liquid phases. We examine the accuracy of a PINN Al potential in predicting the density, self-diffusivity, viscosity, and the tension of the liquid surface and liquid-solid interfaces. Comparison with experimental data and ab initio molecular dynamics calculations shows very good agreement for all properties tested.

molecular dynamics↗