1,915 research outputs found
Modeling Electronic Quantum Transport with Machine Learning
We present a Machine Learning approach to solve electronic quantum transport
equations of one-dimensional nanostructures. The transmission coefficients of
disordered systems were computed to provide training and test datasets to the
machine. The system's representation encodes energetic as well as geometrical
information to characterize similarities between disordered configurations,
while the Euclidean norm is used as a measure of similarity. Errors for
out-of-sample predictions systematically decrease with training set size,
enabling the accurate and fast prediction of new transmission coefficients. The
remarkable performance of our model to capture the complexity of interference
phenomena lends further support to its viability in dealing with transport
problems of undulatory nature.Comment: 5 pages, 4 figure
Plentiful magnetic moments in oxygen deficient SrTiO3
Correlated band theory is employed to investigate the magnetic and electronic
properties of different arrangements of oxygen di- and tri-vacancy clusters in
SrTiO. Hole and electron doping of oxygen deficient SrTiO yields
various degrees of magnetization as a result of the interaction between
localized magnetic moments at the defected sites. Different kinds of Ti atomic
orbital hybridization are described as a function of the doping level and
defect geometry. We find that magnetism in SrTiO is sensitive to
the arrangement of neighbouring vacancy sites, charge carrier density, and
vacancy-vacancy interaction. Permanent magnetic moments in the absence of
vacancy doping electrons are observed. Our description of the charged clusters
of oxygen vacancies widens the previous descriptions of mono and
multi-vacancies and points out the importance of the controled formation at the
atomic level of defects for the realization of transition metal oxide based
devices with a desirable magnetic performance.Comment: 6 pages, 5 figures, continuation of arXiv:1408.310
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