Enhancement of the Curie temperature in small particles of weak itinerant ferromagnets

Self consistent renormalization theory of itinerant ferromagnets is used to calculate the Curie temperature of clusters down to approximately 100 atoms in size. In these clusters the electrons responsible for the magnetic properties are assumed to be (weakly) itinerant. It is shown that the Curie temperature can be larger than in the bulk. The effect originates from the phenomenon of level repulsion in chaotic quantum systems, which suppresses spin fluctuations. Since the latter destroy the magnetic order the resulting Curie temperature increases, contrary to expectations of the naive Stoner picture. The calculations are done assuming that the energy levels of the cluster are described by the Gaussian Orthogonal Ensemble of random matrix theory.Comment: Phys. Rev. B, accepted for publicatio

Model Risks in the Financial Sphere under the Conditions of the Use of Artificial Intelligence and Machine Learning

Objective: within the framework of RegTech and SupTech technologies, to assess the transformation of model risks and ways to minimize them under the increasing use of artificial intelligence methods.Methods: a systematic approach to the analysis of the quality of economic models. Historical, logical, and statistical methods of research.Results: the Russian and foreign experience of accounting for model risks in the financial industry is considered. Theoretical and practical works on the regulation and management of model risks in the activities of financial sector organizations are studied. The role of machine learning and artificial intelligence technologies in solving the modern problems in the functioning and regulation of financial organizations is determined. The key model risks are considered, as well as the directions of changing their specifics as a result of the artificial intelligence technologies development, primarily machine learning, and increasing the capabilities for storage and transmission of a large amount of data. The main methods of data processing and model construction are considered, as well as their advantages in terms of reducing model risks. It is determined that the reduction of model risks using RegTech and SupTech technologies is possible due to the development of artificial intelligence technologies, which will require, among other things, the elaboration of the appropriate legal field.Scientific novelty: the unique feature of the article is a comprehensive consideration of the problem of model risks in the finance industry and of the impact of artificial intelligence technologies on them in mathematical, legal, economic aspects, as well as the description of the situation in this area both abroad and in Russia.Practical significance: the information presented in the article can be used by regulatory authorities and commercial banks in the tasks related to minimizing specific model risks in their activities

Magnetic properties of Co doped Nb clusters

From magnetic deflection experiments on isolated Co doped Nb clusters we made the interesting observation of some clusters being magnetic, while others appear to be non-magnetic. There are in principle two explanations for this behavior. Either the local moment at the Co site is completely quenched or it is screened by the delocalized electrons of the cluster, i.e. the Kondo effect. In order to reveal the physical origin, we conducted a combined theoretical and experimental investigation. First, we established the ground state geometry of the clusters by comparing the experimental vibrational spectra with those obtained from a density functional theory study. Then, we performed an analyses based on the Anderson impurity model. It appears that the non-magnetic clusters are due to a complete quenching of the local Co moment and not due to the Kondo effect. In addition, the magnetic behavior of the clusters can be understood from an inspection of their electronic structure. Here magnetism is favored when the effective hybridization around the chemical potential is small, while the absence of magnetism is signalled by a large effective hybridization around the chemical potential.Comment: 14 pages, 8 figure

Dynamics of pH-sensitive nitroxide radicals in water adsorbed in ordered mesoporous molecular sieves by EPR Spectroscopy

A spin pH probe technique was used to study the influence of the channel diameter on the EPR spectra of pH-sensitive nitroxide radicals (NR) located in the channels of the mesoporous molecular sieves MCM-41 and SBA-15 with diameters ranging from 2.3 to 8.1 nm. From EPR spectra analysis and the results of the NR retention by the mesoporous molecular sieves upon washing with an aqueous KCl solution, the regularities of NR molecular location inside the channels were studied. The obtained dependence of the fraction of the radical molecules in the fast motional regime (with the rotational correlation times, τc = 2 × 10-11 s-9 × 10-11s) in the channels of the mesoporous molecular sieves as a function of pH indicates that both NR in the fast and slow motional regime (with τc = 8 × 10 -9s-7 × 10-10s) may be used for estimation of the solution acidity inside the channels and of the near-surface electrical potential. © 2013 Elsevier Inc. All rights reserved

Correlation effects and orbital magnetism of Co clusters

Recent experiments on isolated Co clusters have shown huge orbital magnetic moments in comparison with their bulk and surface counterparts. These clusters hence provide the unique possibility to study the evolution of the orbital magnetic moment with respect to the cluster size and how competing interactions contribute to the quenching of orbital magnetism. We investigate here different theoretical methods to calculate the spin and orbital moments of Co clusters, and assess the performances of the methods in comparison with experiments. It is shown that density functional theory in conventional local density or generalized gradient approximations, or even with a hybrid functional, severely underestimates the orbital moment. As natural extensions/corrections we considered the orbital polarization correction, the LDA+U approximation as well as the LDA+DMFT method. Our theory shows that of the considered methods, only the LDA+DMFT method provides orbital moments in agreement with experiment, thus emphasizing the importance of dynamic correlations effects for determining fundamental magnetic properties of magnets in the nano-size regime

Quantum control on entangled bipartite qubits

Ising interaction between qubits could produce distortion in entangled pairs generated for engineering purposes (as in quantum computation) in presence of parasite magnetic fields, destroying or altering the expected behavior of process in which is projected to be used. Quantum control could be used to correct that situation in several ways. Sometimes the user should be make some measurement upon the system to decide which is the best control scheme; other posibility is try to reconstruct the system using similar procedures without perturbate it. In the complete pictures both schemes are present. We will work first with pure systems studying advantages of different procedures. After, we will extend these operations when time of distortion is uncertain, generating a mixed state, which needs to be corrected by suposing the most probably time of distortion.Comment: 10 pages, 5 figure

Linear and nonlinear magneto-optical diffraction from one-dimensional periodic structures

Nonlinear magneto-optical diffraction from periodically structured samples has been studied using magnetization-induced second harmonic generation (MSHG). Several orders of diffraction were clearly observable in MSHG, along with a strong dependence on the magnetization. Sizeable asymmetry between the MSHG signal measured in positive and negative diffraction peaks, especially visible in second order, are explained by Fresnel factors. It was found that first-order diffraction hysteresis loops differ from all others by showing an ''overshoot'' at magnetization reversal, both in MSHG and in the linear magneto-optical Kerr effect. Tentatively this behavior is explained as due to inhomogeneous reversal of the magnetization in the stripes

Symmetry Analysis of Second Harmonic Generation at Surfaces of Antiferromagnets

Using group theory we classify the nonlinear magneto-optical response at low-index surfaces of fcc antiferromagnets, such as NiO. Structures consisting of one atomic layer are discussed in detail. We find that optical second harmonic generation is sensitive to surface antiferromagnetism in many cases. We discuss the influence of a second type of magnetic atoms, and also of a possible oxygen sublattice distortion on the output signal. Finally, our symmetry analysis yields the possibility of antiferromagnetic surface domain imaging even in the presence of magnetic unit-cell doubling.Comment: 23 pages, 10 figures incorporated. Accepted to Phys. Rev. B, scheduled for July'9

Electrostatic properties of inner nanopore surfaces of anodic aluminum oxide membranes upon high temperature annealing revealed by EPR of pH-sensitive spin probes and labels

Anodic aluminum oxide (AAO) membranes are versatile nanomaterials that combine the chemically stable and mechanically robust properties of ceramics with homogeneous nanoscale organization that can be tuned to desirable pore diameters and lengths. The AAO substrates feature high surface area that is readily accessible to large and small molecules, making these nanostructures uniquely suited for many possible applications. Examples include templated self-assembly of macroscopically aligned biological membranes and substrates for heterogeneous catalysis. For further development of such applications, one would like to characterize and tune the electrostatic properties of the inner pore surface as well as the local acidity within the nanochannels. Here, we employed electron paramagnetic resonance (EPR) spectroscopy of a small molecule – ionizable nitroxide – as a reporter of the average local acidity in the nanochannels and the local electrostatic potential in the immediate vicinity of the pore surface. The former was achieved by measuring EPR spectra of this molecular probe diffusing in an aqueous phase confined in the AAO nanochannels while for the latter the nitroxide was covalently attached to the hydroxyl group of the alumina surface. We show that the local acidity within the nanochannels is increased by as much as ≈1.48 pH units vs. the pH of bulk solution by decreasing the pore diameter down to ca. 31 nm. Furthermore, the positive surface charge of the as-prepared AAO could be decreased and even switched to a negative surface charge upon annealing the membranes first to 700 °C and then to 1200 °C. For as-prepared AAO, the local electrostatic potential reaches ψ= (163 ± 5) mV for the nitroxide label covalently attached to AAO and located about 0.5 nm away from the surface. Overall, we demonstrate that the acid-based properties of the aqueous volume confined by the AAO nanopores pores can be tuned by either changing the pore diameter from ca. 71 to 31 nm or by thermal annealing to switch the sign of the surface charge. These observations provide a simple and robust means to tailor these versatile high-surface-area nanomaterials for specific applications that depend on acid-base equilibria. © 2020 Elsevier B.V.Russian Foundation for Basic Research. Government Council on Grants, Russian Federation. U.S. Department of Energy. Ministry of Science and Higher Education of the Russian Federation. National Science Foundation. North Carolina State Universit