3,057 research outputs found
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 for neutron incident energies
covering the range 1--20 MeV. From existing experimental bounds, a strength of
keV is deduced for the real and imaginary parts of the five-fold
term, which implies an upper bound of order on the relative -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 selfâevent 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 selfâevent connections with personality functioning in youth with severe psychopathology (crossâsectional 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 selfâevent 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 selfâevent connections may not be associated with better functioning. Moreover, negative affectivity may be a distal predictor of both event valence and functioning
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