Predicted band structures of III-V semiconductors in wurtzite phase

While non-nitride III-V semiconductors typically have a zincblende structure, they may also form wurtzite crystals under pressure or when grown as nanowhiskers. This makes electronic structure calculation difficult since the band structures of wurtzite III-V semiconductors are poorly characterized. We have calculated the electronic band structure for nine III-V semiconductors in the wurtzite phase using transferable empirical pseudopotentials including spin-orbit coupling. We find that all the materials have direct gaps. Our results differ significantly from earlier {\it ab initio} calculations, and where experimental results are available (InP, InAs and GaAs) our calculated band gaps are in good agreement. We tabulate energies, effective masses, and linear and cubic Dresselhaus zero-field spin-splitting coefficients for the zone-center states. The large zero-field spin-splitting coefficients we find may lead to new functionalities for designing devices that manipulate spin degrees of freedom

Generation of spin currents and spin densities in systems with reduced symmetry

We show that the spin-current response of a semiconductor crystal to an external electric field is considerably more complex than previously assumed. While in systems of high symmetry only the spin-Hall components are allowed, in systems of lower symmetry other non-spin-Hall components may be present. We argue that, when spin-orbit interactions are present only in the band structure, the distinction between intrinsic and extrinsic contributions to the spin current is not useful. We show that the generation of spin currents and that of spin densities in an electric field are closely related, and that our general theory provides a systematic way to distinguish between them in experiment. We discuss also the meaning of vertex corrections in systems with spin-orbit interactions.Comment: 4 page

Steady-state spin densities and currents

This article reviews steady-state spin densities and spin currents in materials with strong spin-orbit interactions. These phenomena are intimately related to spin precession due to spin-orbit coupling which has no equivalent in the steady state of charge distributions. The focus will be initially on effects originating from the band structure. In this case spin densities arise in an electric field because a component of each spin is conserved during precession. Spin currents arise because a component of each spin is continually precessing. These two phenomena are due to independent contributions to the steady-state density matrix, and scattering between the conserved and precessing spin distributions has important consequences for spin dynamics and spin-related effects in general. In the latter part of the article extrinsic effects such as skew scattering and side jump will be discussed, and it will be shown that these effects are also modified considerably by spin precession. Theoretical and experimental progress in all areas will be reviewed

Invariant expansion for the trigonal band structure of graphene

We present a symmetry analysis of the trigonal band structure in graphene, elucidating the transformational properties of the underlying basis functions and the crucial role of time-reversal invariance. Group theory is used to derive an invariant expansion of the Hamiltonian for electron states near the K points of the graphene Brillouin zone. Besides yielding the characteristic k-linear dispersion and higher-order corrections to it, this approach enables the systematic incorporation of all terms arising from external electric and magnetic fields, strain, and spin-orbit coupling up to any desired order. Several new contributions are found, in addition to reproducing results obtained previously within tight-binding calculations. Physical ramifications of these new terms are discussed.Comment: 10 pages, 1 figure; expanded version with more details and additional result

Optical-Model Description of Time-Reversal Violation

A time-reversal-violating spin-correlation coefficient in the total cross section for polarized neutrons incident on a tensor rank-2 polarized target is calculated by assuming a time-reversal-noninvariant, parity-conserving ``five-fold" interaction in the neutron-nucleus optical potential. Results are presented for the system $n + {^{165}{\rm Ho}}$ for neutron incident energies covering the range 1--20 MeV. From existing experimental bounds, a strength of $2 \pm 10$ keV is deduced for the real and imaginary parts of the five-fold term, which implies an upper bound of order $10^{-4}$ on the relative $T$-odd strength when compared to the central real optical potential.Comment: 11 pages (Revtex

Device physics of polymer:fullerene bulk heterojunction solar cells

Plastic solar cells bear the potential for large-scale power generation based on materials that provide the possibility of flexible, lightweight, inexpensive, efficient solar cells. Since the discovery of the photoinduced electron transfer from a conjugated polymer to fullerene molecules, followed by the introduction of the bulk heterojunction (BHJ) concept, this material combination has been extensively studied in organic solar cells, leading to several breakthroughs in efficiency, with a power conversion efficiency approaching 5 %. This article reviews the processes and limitations that govern device operation of polymer.-fullerene BHJ solar cells, with respect to the charge-carrier transport and photogeneration mechanism. The transport of electrons/holes in the blend is a crucial parameter and must be controlled (e.g., by controlling the nanoscale morphology) and enhanced in order to allow fabrication of thicker films to maximize the absorption, without significant recombination losses. Concomitantly, a balanced transport of electrons and holes in the blend is needed to suppress the build-up of the space-charge that will significantly reduce the power conversion efficiency. Dissociation of electron-hole pairs at the donor/acceptor interface is an important process that limits the charge generation efficiency under normal operation condition. Based on these findings, there is a compromise between charge generation (light absorption) and open-circuit voltage (V-oc) when attempting to reduce the bandgap of the polymer (or fullerene). Therefore, an increase in V-oc of polymer.-fullerene cells, for example by raising the lowest unoccupied molecular orbital level of the fullerene, will benefit cell performance as both fill factor and short-circuit current increase simultaneously

Heterovalent interlayers and interface states: an ab initio study of GaAs/Si/GaAs (110) and (100) heterostructures

We have investigated ab initio the existence of localized states and resonances in abrupt GaAs/Si/GaAs (110)- and (100)-oriented heterostructures incorporating 1 or 2 monolayers (MLs) of Si, as well as in the fully developed Si/GaAs (110) heterojunction. In (100)-oriented structures, we find both valence- and conduction-band related near-band edge states localized at the Si/GaAs interface. In the (110) systems, instead, interface states occur deeper in the valence band; the highest valence-related resonances being about 1 eV below the GaAs valence-band maximum. Using their characteristic bonding properties and atomic character, we are able to follow the evolution of the localized states and resonances from the fully developed Si/GaAs binary junction to the ternary GaAs/Si/GaAs (110) systems incorporating 2 or 1 ML of Si. This approach also allows us to show the link between the interface states of the (110) and (100) systems. Finally, the conditions for the existence of localized states at the Si/GaAs (110) interface are discussed based on a Koster-Slater model developed for the interface-state problem.Comment: REVTeX 4, 14 pages, 15 EPS figure

New SP-values of time and reliability for freight transport in the Netherlands

This paper discusses the methods used in a study on the values of time and reliability in freight transport in the Netherlands. SP surveys were carried out among more than 800 shippers and carriers. A novel feature is that both for the value of time and reliability two additive components are distinguished: a transport cost and a cargo component. Specific instructions were given to make sure that the carriers provide the former and shippers that contract out the latter component. The resulting values that will be used in CBA in The Netherlands are presented and compared against the international literature

The relation between self-event connections and personality functioning in youth with severe psychopathology

OBJECTIVE: One way in which individuals construct their narrative identity is by making self‐event connections, which are often linked to better functioning. Being unable to make connections is related to identity discontinuity and psychopathology. Work in the general population corroborates this association, but also highlights the importance of focusing on specific aspects of these connections and on vulnerable populations. METHOD: We examined the association of self‐event connections with personality functioning in youth with severe psychopathology (cross‐sectional N = 228, M (age) = 19.5, longitudinal N = 84), and the role of event and connection valence in the subsample of youth who made a connection (n = 188 and n = 68). Negative affectivity was controlled for in all models. RESULTS: We found no evidence that self‐event connections, nor connection valence and its interaction with event valence, are related to functioning. Positive event valence was associated with better functioning. Higher negative affectivity was strongly linked to lower functioning and explained the relation between event valence and functioning. No longitudinal associations emerged. CONCLUSIONS: These findings show that for youth with severe psychopathology making self‐event connections may not be associated with better functioning. Moreover, negative affectivity may be a distal predictor of both event valence and functioning