96 research outputs found
Elementary structural building blocks encountered in silicon surface reconstructions
Driven by the reduction of dangling bonds and the minimization of surface
stress, reconstruction of silicon surfaces leads to a striking diversity of
outcomes. Despite this variety even very elaborate structures are generally
comprised of a small number of structural building blocks. We here identify
important elementary building blocks and discuss their integration into the
structural models as well as their impact on the electronic structure of the
surface
Doping nature of native defects in 1T-TiSe2
The transition metal dichalcogenide 1T-TiSe2 is a quasi two-dimensional
layered material with a charge density wave (CDW) transition temperature of
TCDW 200 K. Self-doping effects for crystals grown at different temperatures
introduce structural defects, modify the temperature dependent resistivity and
strongly perturbate the CDW phase. Here we study the structural and doping
nature of such native defects combining scanning tunneling
microscopy/spectroscopy and ab initio calculations. The dominant native single
atom dopants we identify in our single crystals are intercalated Ti atoms, Se
vacancies and Se substitutions by residual iodine and oxygen.Comment: 5 pages, 3 figure
Spontaneous exciton condensation in 1T-TiSe2: a BCS-like approach
Recently strong evidence has been found in favor of a BCS-like condensation
of excitons in 1\textit{T}-TiSe. Theoretical photoemission intensity maps
have been generated by the spectral function calculated within the excitonic
condensate phase model and set against experimental angle-resolved
photoemission spectroscopy data. Here, the calculations in the framework of
this model are presented in detail. They represent an extension of the original
excitonic insulator phase model of J\'erome \textit{et al.} [Phys. Rev. {\bf
158}, 462 (1967)] to three dimensional and anisotropic band dispersions. A
detailed analysis of its properties and further comparison with experiment are
also discussedComment: Submitted to PRB, 11 pages, 7 figure
STM microscopy of the CDW in 1T-TiSe2 in the presence of single atom defects
We present a detailed low temperature scanning tunneling microscopy study of
the commensurate charge density wave (CDW) in 1-TiSe in the presence of
single atom defects. We find no significant modification of the CDW lattice in
single crystals with native defects concentrations where some bulk probes
already measure substantial reductions in the CDW phase transition signature.
Systematic analysis of STM micrographs combined with density functional theory
modelling of atomic defect patterns indicate that the observed CDW modulation
lies in the Se surface layer. The defect patterns clearly show there are no
2-polytype inclusions in the CDW phase, as previously found at room
temperature [Titov A.N. et al, Phys. Sol. State 53, 1073 (2011). They further
provide an alternative explanation for the chiral Friedel oscillations recently
reported in this compound [J. Ishioka et al., Phys. Rev. B 84, 245125, (2011)].Comment: 5 pages, 4 figure
Influence of elastic scattering on the measurement of core-level binding energy dispersion in X-ray photoemission spectroscopy
We explore the interplay between the elastic scattering of photoelectrons and the surface core level shifts with regard to the determination of core level binding energies in Au(111) and Cu3Au(100). We find that an artificial shift is created in the binding energies of the Au 4f core levels, that exhibits a dependence on the emission angle, as well as on the spectral intensity of the core level emission itself. Using a simple model, we are able to reproduce the angular dependence of the shift and relate it to the anisotropy in the electron emission from the bulk layers. Our results demonstrate that interpretation of variation of the binding energy of core-levels should be conducted with great care and must take into account the possible influence of artificial shifts induced by elastic scatterin
Temperature dependent photoemission on 1T-TiSe2: Interpretation within the exciton condensate phase model
The charge density wave phase transition of 1T-TiSe2 is studied by
angle-resolved photoemission over a wide temperature range. An important
chemical potential shift which strongly evolves with temperature is evidenced.
In the framework of the exciton condensate phase, the detailed temperature
dependence of the associated order parameter is extracted. Having a
mean-field-like behaviour at low temperature, it exhibits a non-zero value
above the transition, interpreted as the signature of strong excitonic
fluctuations, reminiscent of the pseudo-gap phase of high temperature
superconductors. Integrated intensity around the Fermi level is found to
display a trend similar to the measured resistivity and is discussed within the
model.Comment: 8 pages, 6 figure
Temperature dependence of the excitonic insulator phase model in 1T-TiSe2
Recently, detailed calculations of the excitonic insulator phase model
adapted to the case of 1\textit{T}-TiSe have been presented. Through the
spectral function theoretical photoemission intensity maps can be generated
which are in very good agreement with experiment [Phys. Rev. Lett. {\bf 99},
(2007) 146403]. In this model, excitons condensate in a BCS-like manner and
give rise to a charge density wave, characterized by an order parameter. Here,
we assume an analytical form of the order parameter, allowing to perform
temperature dependent calculations. The influence of this order parameter on
the electronic spectral function, to be observed in photoemission spectra, is
discussed. The resulting chemical potential shift and an estimation of the
resistivity are also shown.Comment: 4 pages, 3 figures, paper submitted at the Strongly Correlated
Electron System conference, Brazil, 200
An Alternative Interpretation of Recent ARPES Measurements on TiSe2
Recently there has been a renewed interest in the charge density wave
transition of TiSe2, fuelled by the possibility that this transition may be
driven by the formation of an excitonic insulator or even an excitonic
condensate. We show here that the recent ARPES measurements on TiSe2 can also
be interpreted in terms of an alternative scenario, in which the transition is
due to a combination of Jahn-Teller effects and exciton formation. The hybrid
exciton-phonons which cause the CDW formation interpolate between a purely
structural and a purely electronic type of transition. Above the transition
temperature, the electron-phonon coupling becomes ineffective but a finite
mean-field density of excitons remains and gives rise to the observed diffuse
ARPES signals.Comment: 4 pages, 2 figure
Guanabenz (Wytensin) selectively enhances uptake and efficacy of hydrophobically modified siRNAs
One of the major obstacles to the pharmaceutical success of oligonucleotide therapeutics (ONTs) is efficient delivery from the point of injection to the intracellular setting where functional gene silencing occurs. In particular, a significant fraction of internalized ONTs are nonproductively sequestered in endo-lysosomal compartments. Here, we describe a two-step, robust assay for high-throughput de novo detection of small bioactive molecules that enhance cellular uptake, endosomal escape, and efficacy of ONTs. Using this assay, we screened the LOPAC (Sigma-Aldrich) Library of Pharmacologically Active Compounds and discovered that Guanabenz acetate (Wytensin), an FDA-approved drug formerly used as an antihypertensive agent, is capable of markedly increasing the cellular internalization and target mRNA silencing of hydrophobically modified siRNAs (hsiRNAs), yielding a approximately 100-fold decrease in hsiRNA IC50 (from 132 nM to 2.4 nM). This is one of the first descriptions of a high-throughput small-molecule screen to identify novel chemistries that specifically enhance siRNA intracellular efficacy, and can be applied toward expansion of the chemical diversity of ONTs
Short-range phase coherence and origin of the charge density wave
The impact of variable Ti self-doping on the 1T−TiSe2 charge density wave (CDW) is studied by scanning tunneling microscopy. Supported by density functional theory, we show that agglomeration of intercalated-Ti atoms acts as preferential nucleation centers for the CDW that breaks up in phase-shifted CDW domains whose size directly depends on the intercalated-Ti concentration and which are separated by atomically sharp phase boundaries. The close relationship between the diminution of the CDW domain size and the disappearance of the anomalous peak in the temperature-dependent resistivity allows to draw a coherent picture of the 1T−TiSe2 CDW phase transition and its relation to excitons
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