857 research outputs found
The multiferroic phase of DyFeO:an ab--initio study
By performing accurate ab-initio density functional theory calculations, we
study the role of electrons in stabilizing the magnetic-field-induced
ferroelectric state of DyFeO. We confirm that the ferroelectric
polarization is driven by an exchange-strictive mechanism, working between
adjacent spin-polarized Fe and Dy layers, as suggested by Y. Tokunaga [Phys.
Rev. Lett, \textbf{101}, 097205 (2008)]. A careful electronic structure
analysis suggests that coupling between Dy and Fe spin sublattices is mediated
by Dy- and O- hybridization. Our results are robust with respect to the
different computational schemes used for and localized states, such as
the DFT+ method, the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional and the
GW approach. Our findings indicate that the interaction between the and
sublattice might be used to tailor ferroelectric and magnetic properties of
multiferroic compounds.Comment: 6 pages, 4 figures-Revised versio
On the growth of ammonium nitrate(III) crystals
The growth rate of NH4NO3 phase III crystals is measured and interpreted using two models. The first is a standard crystal growth model based on a spiral growth mechanism, the second outlines the concept of kinetical roughening. As the crystal becomes rough a critical supersaturation can be determined and from this the step free energy. The step free energy versus temperature turns out to be well represented by a KosterlitzÂżThouless type model. Further a phenomenological treatment of some peculiar growth observations is given
Guest Editors’ Introduction to The Special Issue “Network Psychometrics in Action”: Methodological Innovations Inspired by Empirical Problems
A note on large-scale logistic prediction:Using an approximate graphical model to deal with collinearity and missing data
- …