5,471 research outputs found
Magnetism in 2D BNO and BSiN: polarized itinerant and local electrons
We use density functional theory based first-principles methods to study the
magnetism in a 2D hexagonal BN sheet induced by the different concentrations of
oxygen and silicon atoms substituting for nitrogen (O) and boron
(Si) respectively. We demonstrate the possible formation of three
distinct phases based on the magnetization energy calculated self-consistently
for the ferromagnetic (ME) and antiferromagnetic
(ME) states, i.e. the paramagnetic phase with
ME=ME, the ferromagnetic phase with
MEME and finally the polarized itinerant
electrons with finite ME but zero ME. While
the O system was found to exist in all three phases, no tendency
towards the formation of the polarized itinerant electrons was observed for the
Si system though the existence of the other two phases was
ascertained. The different behavior of these two systems is associated with the
diverse features in the magnetization energy as a function of the oxygen and
silicon concentrations. Finally, the robustness of the polarized itinerant
electron phase is also discussed with respect to the O substitute atom
distributions and the applied strains to the system.Comment: accepted by RP
On the Experimental Estimation of Surface Enhanced Raman Scattering (SERS) Cross Sections by Vibrational Pumping
We present an in-depth analysis of the experimental estimation of cross
sections in Surface Enhanced Raman Scattering (SERS) by vibrational pumping.
The paper highlights the advantages and disadvantages of the technique,
pinpoints the main aspects and limitations, and provides the underlying
physical concepts to interpret the experimental results. Examples for several
commonly used SERS probes are given, and a discussion on future possible
developments is also presented.Comment: To be submitted to J. Phys. Chem.
Enhancement factor distribution around a single SERS Hot-spot and its relation to Single Molecule detection
We provide the theoretical framework to understand the phenomenology and
statistics of single-molecule (SM) signals arising in Surface-Enhanced Raman
Scattering (SERS) under the presence of so-called electromagnetic hot-spots
(HS's). We show that most characteristics of the SM-SERS phenomenon can be
tracked down to the presence of tail-like (power law) distribution of
enhancements and we propose a specific model for it. We analyze, in the light
of this, the phenomenology of SM-SERS and show how the different experimental
manifestations of the effect reported in the literature can be analyzed and
understood under a unified ``universal'' framework with a minimum set of
parameters.Comment: 13 pages, 4 figures, submitted to J. Chem. Phy
Ab initio Studies of the Possible Magnetism in BN Sheet by Non-magnetic Impurities and Vacancies
We performed first-principles calculations to investigate the possible
magnetism induced by the different concentrations of non-magnetic impurities
and vacancies in BN sheet. The atoms of Be, B, C, N, O, Al and Si are used to
replace either B or N in the systems as impurities. We discussed the changes in
density of states as well as the extent of the spatial distributions of the
defect states, the possible formation of magnetic moments, the magnitude of the
magnetization energies and finally the exchange energies due to the presence of
these defects. It is shown that the magnetization energies tend to increase as
the concentrations of the defects decreases in most of the defect systems which
implies a definite preference of finite magnetic moments. The calculated
exchange energies are in general tiny but not completely insignificant for two
of the studied defect systems, i.e. one with O impurities for N and the other
with B vacancies.Comment: 8 pages, 10 figures, submitted to Phys. Rev.
Differential isospin-fractionation in dilute asymmetric nuclear matter
The differential isospin-fractionation (IsoF) during the liquid-gas phase
transition in dilute asymmetric nuclear matter is studied as a function of
nucleon momentum. Within a self-consistent thermal model it is shown that the
neutron/proton ratio of the gas phase becomes {\it smaller} than that of the
liquid phase for energetic nucleons, although the gas phase is overall more
neutron-rich. Clear indications of the differential IsoF consistent with the
thermal model predictions are demonstrated within a transport model for
heavy-ion reactions. Future comparisons with experimental data will allow us to
extract critical information about the momentum dependence of the isovector
strong interaction.Comment: Rapid Communication, Phys. Rev. C (2007) in pres
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