1,812 research outputs found
Dominance of interface chemistry over the bulk properties in determining the electronic structure of epitaxial metal/perovskite oxide heterojunctions
This is the author accepted manuscript. The final version is available from the American Chemical Society via the DOI in this record.We show that despite very similar crystallographic properties and work function values in bulk Fe and Cr, epitaxial films of these metals on Nb:SrTiO3(001) exhibit completely different heterojunction electronic properties. The Cr/SrTiO3 interface is ohmic, whereas Fe/SrTiO3 forms a Schottky barrier with a barrier height of 0.50 eV. This difference arises because of variations in interface chemistry. In contrast to Cr [Chambers, S. A., Adv. Mater. 2013, 25, 4001.], in-diffused Fe exhibits a +2 oxidation state and occupies Ti sites in the perovskite lattice, resulting in negligible charge transfer to Ti, upward band bending, and Schottky barrier formation. The differences between Cr and Fe are understood by performing first-principles calculations of the energetics of defect formation, which corroborate experimental results.This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award #10122. The work described was conducted in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by DOE’s Office of Biological and Environmental Research and located at PNNL. PNNL is operated by Battelle for the DOE under Contract DE-AC05-76RLO1830. S.P.H. was supported by the EPSRC Grant No.EP/I009973/1. Access to the HECToR high-performance computing facility was made available via S.P.H. membership of the U.K.’s HPC Materials Chemistry Consortium, which was funded by EPSRC (EP/F067496)
Band Alignment, Built-In Potential, and the Absence of Conductivity at the LaCrO3/SrTiO3(001) Heterojunction
Core-level and valence-band x-ray photoemission spectra measured for molecular-beam-epitaxy-grown LaCrO3/SrTiO3(001) yield band offsets and potential gradients within the LaCrO3 sufficient to trigger an electronic reconstruction to alleviate the polarity mismatch. Yet, the interface is insulating. Based on first principles calculations, we attribute this unexpected result to interfacial cation mixing combined with charge redistribution within CrO2 layers, enabled by low-lying d states within LaCrO3, which suppresses an electronic reconstruction
Why big brains? A comparison of models for both primate and carnivore brain size evolution
Despite decades of research, much uncertainty remains regarding the selection pressures responsible for brain size variation. Whilst the influential social brain hypothesis once garnered extensive support, more recent studies have failed to find support for a link between brain size and sociality. Instead, it appears there is now substantial evidence suggesting ecology better predicts brain size in both primates and carnivores. Here, different models of brain evolution were tested, and the relative importance of social, ecological, and life-history traits were assessed on both overall encephalisation and specific brain regions. In primates, evidence is found for consistent associations between brain size and ecological factors, particularly diet; however, evidence was also found advocating sociality as a selection pressure driving brain size. In carnivores, evidence suggests ecological variables, most notably home range size, are influencing brain size; whereas, no support is found for the social brain hypothesis, perhaps reflecting the fact sociality appears to be limited to a select few taxa. Life-history associations reveal complex selection mechanisms to be counterbalancing the costs associated with expensive brain tissue through extended developmental periods, reduced fertility, and extended maximum lifespan. Future studies should give careful consideration of the methods chosen for measuring brain size, investigate both whole brain and specific brain regions where possible, and look to integrate multiple variables, thus fully capturing all of the potential factors influencing brain size
Ab initio study of magnetism at the TiO2/LaAlO3 interface
In this paper we study the possible relation between the electronic and
magnetic structure of the TiO2/LaAlO3 interface and the unexpected magnetism
found in undoped TiO2 films grown on LaAlO. We concentrate on the role
played by structural relaxation and interfacial oxygen vacancies.
LaAlO3 has a layered structure along the (001) direction with alternating LaO
and AlO2 planes, with nominal charges of +1 and -1, respectively. As a
consequence of that, an oxygen deficient TiO2 film with anatase structure will
grow preferently on the AlO2 surface layer. We have therefore performed
ab-initio calculations for superlattices with TiO2/AlO2 interfaces with
interfacial oxygen vacancies. Our main results are that vacancies lead to a
change in the valence state of neighbour Ti atoms but not necessarily to a
magnetic solution and that the appearance of magnetism depends also on
structural details, such as second neighbor positions. These results are
obtained using both the LSDA and LSDA+U approximations.Comment: Accepted for publication in Journal of Materials Scienc
The interface between silicon and a high-k oxide
The ability to follow Moore's Law has been the basis of the tremendous
success of the semiconductor industry in the past decades. To date, the
greatest challenge for device scaling is the required replacement of silicon
dioxide-based gate oxides by high-k oxides in transistors. Around 2010 high-k
oxides are required to have an atomically defined interface with silicon
without any interfacial SiO2 layer. The first clean interface between silicon
and a high-K oxide has been demonstrated by McKee et al. Nevertheless, the
interfacial structure is still under debate. Here we report on first-principles
calculations of the formation of the interface between silicon and SrTiO3 and
its atomic structure. Based on insights into how the chemical environment
affects the interface, a way to engineer seemingly intangible electrical
properties to meet technological requirements is outlined. The interface
structure and its chemistry provide guidance for the selection process of other
high-k gate oxides and for controlling their growth. Our study also shows that
atomic control of the interfacial structure can dramatically improve the
electronic properties of the interface. The interface presented here serves as
a model for a variety of other interfaces between high-k oxides and silicon.Comment: 10 pages, 2 figures (one color
Provision of relapse prevention interventions in UK NHS Stop Smoking Services: a survey
Background
UK NHS Stop Smoking Services provide cost effective smoking cessation interventions but, as yet, there has been no assessment of their provision of relapse prevention interventions.
Methods
Electronic questionnaire survey of 185 UK Stop Smoking Services Managers.
Results
Ninety six Stop Smoking Service managers returned completed questionnaires (52% response rate). Of these, 58.3% (n = 56) ran NHS Stop Smoking Services which provided relapse prevention interventions for clients with the most commonly provided interventions being behavioural support: telephone (77%), group (73%), and individual (54%). Just under half (48%, n = 27) offered nicotine replacement therapy (NRT), 21.4% (n = 12) bupropion; 19.6% (n = 11) varenicline. Over 80% of those providing relapse prevention interventions do so for over six months. Nearly two thirds of all respondents thought it was likely that they would either continue to provide or commence provision of relapse prevention interventions in their services. Of the remaining respondents, 66.7% (n = 22) believed that the government focus on four-week quit rates, and 42.9% (14 services) believed that inadequate funding for provision of relapse prevention interventions, were major barriers to introducing these interventions into routine care.
Conclusions
Just over half of UK managers of NHS Stop Smoking Services who responded to the questionnaire reported that, in their services, relapse prevention interventions were currently provided for clients, despite, at that time, there being a weak evidence base for their effectiveness. The most commonly provided relapse prevention interventions were those for which there was least evidence. If these interventions are found to be effective, barriers would need to be removed before they would become part of routine care
Ventral and dorsal striatal dopamine efflux and behavior in rats with simple vs. co-morbid histories of cocaine sensitization and neonatal ventral hippocampal lesions
xposing animal models of mental illness to addictive drugs provides an approach to understanding the neural etiology of dual diagnosis disorders. Previous studies have shown that neonatal ventral hippocampal lesions (NVHL) in rats produce features of both schizophrenia and addiction vulnerability.
Objective
This study investigated ventral and dorsal striatal dopamine (DA) efflux in NVHL rats combined with behavioral sensitization to cocaine.
Methods
Adult NVHL vs. SHAM-operated rats underwent a 5-day injection series of cocaine (15 mg/kg/day) vs. saline. One week later, rats were cannulated in nucleus accumbens SHELL, CORE, or caudate–putamen. Another week later, in vivo microdialysis sampled DA during locomotor testing in which a single cocaine injection (15 mg/kg) was delivered.
Results
NVHLs and cocaine history significantly increased behavioral activation approximately 2-fold over SHAM-saline history rats. DA efflux curves corresponded time dependently with the cocaine injection and locomotor curves and varied significantly by striatal region: Baseline DA levels increased 5-fold while cocaine-stimulated DA efflux decreased by half across a ventral to dorsal striatal gradient. However, NVHLs, prior cocaine history, and individual differences in behavior were not underpinned by differential DA efflux overall or within any striatal region.Conclusion
Differences in ventral/dorsal striatal DA efflux are not present in and are not required for producing differential levels of acute cocaine-induced behavioral activation in NVHLs with and without a behaviorally sensitizing cocaine history. These findings suggest other neurotransmitter systems, and alterations in striatal network function post-synaptic to DA transmission are more important to understanding the interactive effects of addictive drugs and mental illness
Kerr-AdS and its Near-horizon Geometry: Perturbations and the Kerr/CFT Correspondence
We investigate linear perturbations of spin-s fields in the Kerr-AdS black
hole and in its near-horizon geometry (NHEK-AdS), using the Teukolsky master
equation and the Hertz potential. In the NHEK-AdS geometry we solve the
associated angular equation numerically and the radial equation exactly. Having
these explicit solutions at hand, we search for linear mode instabilities. We
do not find any (non-)axisymmetric instabilities with outgoing boundary
conditions. This is in agreement with a recent conjecture relating the
linearized stability properties of the full geometry with those of its
near-horizon geometry. Moreover, we find that the asymptotic behaviour of the
metric perturbations in NHEK-AdS violates the fall-off conditions imposed in
the formulation of the Kerr/CFT correspondence (the only exception being the
axisymmetric sector of perturbations).Comment: 26 pages. 4 figures. v2: references added. matches published versio
Ferromagnetic Semiconductors: Moving Beyond (Ga,Mn)As
The recent development of MBE techniques for growth of III-V ferromagnetic
semiconductors has created materials with exceptional promise in spintronics,
i.e. electronics that exploit carrier spin polarization. Among the most
carefully studied of these materials is (Ga,Mn)As, in which meticulous
optimization of growth techniques has led to reproducible materials properties
and ferromagnetic transition temperatures well above 150 K. We review progress
in the understanding of this particular material and efforts to address
ferromagnetic semiconductors as a class. We then discuss proposals for how
these materials might find applications in spintronics. Finally, we propose
criteria that can be used to judge the potential utility of newly discovered
ferromagnetic semiconductors, and we suggest guidelines that may be helpful in
shaping the search for the ideal material.Comment: 37 pages, 4 figure
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Interface properties and built-in potential profile of a LaCr O3/SrTi O3 superlattice determined by standing-wave excited photoemission spectroscopy
LaCrO3(LCO)/SrTiO3(STO) heterojunctions are intriguing due to a polar discontinuity along [001], exhibiting two distinct and controllable charged interface structures [(LaO)+/(TiO2)0 and (SrO)0/(CrO2)-] with induced polarization, and a resulting depth-dependent potential. In this study, we have used soft- and hard-x-ray standing-wave excited photoemission spectroscopy (SW-XPS) to quantitatively determine the elemental depth profile, interface properties, and depth distribution of the polarization-induced built-in potentials. We observe an alternating charged interface configuration: a positively charged (LaO)+/(TiO2)0 intermediate layer at the LCOtop/STObottom interface and a negatively charged (SrO)0/(CrO2)- intermediate layer at the STOtop/LCObottom interface. Using core-level SW data, we have determined the depth distribution of species, including through the interfaces, and these results are in excellent agreement with scanning transmission electron microscopy and electron energy-loss spectroscopy mapping of local structure and composition. SW-XPS also enabled deconvolution of the LCO and STO contributions to the valence-band (VB) spectra. Using a two-step analytical approach involving first SW-induced core-level binding-energy shifts and then VB modeling, the variation in potential across the complete superlattice is determined in detail. This potential is in excellent agreement with density functional theory models, confirming this method as a generally useful tool for interface studies
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