Theory of Magnetic Edge States in Chiral Graphene Nanoribbons

Using a model Hamiltonian approach including electron-electron interactions, we systematically investigate the electronic structure and magnetic properties of chiral graphene nanoribbons. We show that the presence of magnetic edge states is an intrinsic feature of smooth graphene nanoribbons with chiral edges, and discover a number of structure-property relations. Specifically, we study the dependence of magnetic moments and edge-state energy splittings on the nanoribbon width and chiral angle as well as the role of environmental screening effects. Our results address a recent experimental observation of signatures of magnetic ordering in chiral graphene nanoribbons and provide an avenue towards tuning their properties via the structural and environmental degrees of freedom.Comment: 4 pages, 5 figure

Cryogenic Propellant Scavenging

A detailed description of a computer model that has been developed for assessing the feasibility of low g cryogen propellant scavenging from the space shuttle External Tank (ET) is given. Either pump-assisted or pressure-induced propellant transfer may be selected. The program will accept a wide range of input variables, including the fuel to be transferred (LOX or LH2), heat leaks, tank temperatures, and piping and equipment specifications. The model has been parametrically analyzed to determine initial design specification for the system

Open-Loop Spatial Multiplexing and Diversity Communications in Ad Hoc Networks

This paper investigates the performance of open-loop multi-antenna point-to-point links in ad hoc networks with slotted ALOHA medium access control (MAC). We consider spatial multiplexing transmission with linear maximum ratio combining and zero forcing receivers, as well as orthogonal space time block coded transmission. New closed-form expressions are derived for the outage probability, throughput and transmission capacity. Our results demonstrate that both the best performing scheme and the optimum number of transmit antennas depend on different network parameters, such as the node intensity and the signal-to-interference-and-noise ratio operating value. We then compare the performance to a network consisting of single-antenna devices and an idealized fully centrally coordinated MAC. These results show that multi-antenna schemes with a simple decentralized slotted ALOHA MAC can outperform even idealized single-antenna networks in various practical scenarios.Comment: 51 pages, 19 figures, submitted to IEEE Transactions on Information Theor

Proceedings of the Third Cryocooler Conference

Mechanical and non-mechanical types of small cryocoolers in the temperature range of 4 to 80 K are discussed. Applications of these small cryocoolers include the cooling of infrared detectors, cryopumps, small superconducting devices and magnets, and electronic devices

Defect-induced modification of low-lying excitons and valley selectivity in monolayer transition metal dichalcogenides

We study the effect of point-defect chalcogen vacancies on the optical properties of monolayer transition metal dichalcogenides using ab initio GW and Bethe-Salpeter equation calculations. We find that chalcogen vacancies introduce unoccupied in-gap states and occupied resonant defect states within the quasiparticle continuum of the valence band. These defect states give rise to a number of strongly-bound defect excitons and hybridize with excitons of the pristine system, reducing the valley-selective circular dichroism. Our results suggest a pathway to tune spin-valley polarization and other optical properties through defect engineering

Origins of singlet fission in solid pentacene from an ab initio Green's-function approach

We develop a new first-principles approach to predict and understand rates of singlet fission with an ab initio Green's-function formalism based on many-body perturbation theory. Starting with singlet and triplet excitons computed from a GW plus Bethe-Salpeter equation approach, we calculate the exciton--bi-exciton coupling to lowest order in the Coulomb interaction, assuming a final state consisting of two non-interacting spin-correlated triplets with finite center-of-mass momentum. For crystalline pentacene, symmetries dictate that the only purely Coulombic fission decay from a bright singlet state requires a final state consisting of two inequivalent nearly degenerate triplets of nonzero, equal and opposite, center-of-mass momenta. For such a process, we predict a singlet lifetime of 40 to 150 fs, in very good agreement with experimental data, indicating that this process can dominate singlet fission in crystalline pentacene. Our approach is general and provides a framework for predicting and understanding multiexciton interactions in solids