171 research outputs found

    Double Counting in LDA+DMFT - The Example of NiO

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    An intrinsic issue of the LDA+DMFT approach is the so called double counting of interaction terms. How to choose the double-counting potential in a manner that is both physically sound and consistent is unknown. We have conducted an extensive study of the charge transfer system NiO in the LDA+DMFT framework using quantum Monte Carlo and exact diagonalization as impurity solvers. By explicitly treating the double-counting correction as an adjustable parameter we systematically investigated the effects of different choices for the double counting on the spectral function. Different methods for fixing the double counting can drive the result from Mott insulating to almost metallic. We propose a reasonable scheme for the determination of double-counting corrections for insulating systems.Comment: 7 pages, 6 figure

    Effect of seed inoculation and foliar fertilizing on structure of soybean yield and yield structure in Western Polissya of Ukraine

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    Growing soybeans requires adjustment of micronutrient nutrition on poorly fertile soils. Foliar fertilization can overcome the deficiency of micronutrients in plants in the most important period. Three factorial field experiment to study foliar fertilization with complex micronutrients, seed inoculation by Bradyrhizobium japonicum in two soybean varieties (Kassidy and ES Mentor) was conducted. Foliar fertilization with Quantum oil and WUXAL Oilseed significantly increased certain elements in soybean yield structure. Fertilizer WUXAL Oilseed with a higher concentration of Mo, Mn and B more effectively increased the number of pods and seeds from the plant and formed a higher yield in soybeans. Foliar fertilization with WUXAL Oilseed and Quantum oil increased seed yield to 3.00 t ha-1 and 2.94 t ha-1 , respectively in regard to variant without fertilizing, where yield was 2.71 t ha-1 . Variety Kassidy had greater number of pods and seeds, seed weight in comparison to foliar fertilizing ES Mentor. Seed inoculation gaves a stable increase in yield under different foliar fertilizations in varieties Kassidy and ES Mentor

    Developing a New Effective Magnetic Model of Fe3GeTe2 Based on AB-Initio Calculations

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    In our work we propose a new effective magnetic model for two-dimensional van der Waals ferromagnet Fe3GeTe2. To prove its correctness we conducted ab-initio calculations as well as compared Curie temperatures using Monte Carlo simulations with the obtained parameters.This work was supported by the Russian Science Foundation, Grant No. 21-72-10136

    Coherent vibrations of submicron spherical gold shells in a photonic crystal

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    Coherent acoustic radial oscillations of thin spherical gold shells of submicron diameter excited by an ultrashort optical pulse are observed in the form of pronounced modulations of the transient reflectivity on a subnanosecond time scale. Strong acousto-optical coupling in a photonic crystal enhances the modulation of the transient reflectivity up to 4%. The frequency of these oscillations is demonstrated to be in good agreement with Lamb theory of free gold shells.Comment: Error in Eqs.2 and 3 corrected; Tabl. I corrected; Fig.1 revised; a model that explains the dependence of the oscillation amplitude of the transient reflectivity with wavelength adde

    EVOLUTION OF THE MAGNETIC PROPERTIES OF TWO-DIMENSIONAL Fe3GeTe2 UNDER STRAIN

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    In this work we study the evolution of magnetic properties, magnetization, and magnon spectra of Fe3GeTe2 changes under in-plane biaxial strain. We found that moderate tensile strain significantly increases Curie temperature, while compressive one destroys FM order.This work was supported by the Russian Science Foundation Grant 21-72-10136

    Principles of clinical and economic analysis of antimicrobial drugs

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    In light of rising costs in the health care system and the introduction of innovative but expensive technologies, decision makers are looking for reliable methods to assess their cost-effectiveness. To this end, a comprehensive assessment of medical technology is carried out, including the analysis of information on its comparative clinical efficacy and safety, as well as an assessment of the economic consequences of its implementation. One of the most important features of clinical and economic studies of antimicrobials is the ability of infectious agents to acquire resistance to therapy, which fundamentally changes their effectiveness, and, consequently, the clinical and economic feasibility of use over time. Taking into account the risks of resistance as a criterion of effectiveness in pharmacoeconomical studies of antimicrobial drugs is an important factor affecting the feasibility of inclusion of drugs in the restrictive lists. At the same time, this criterion remains underutilized

    Orbital-selective conductance of Co adatom on the Pt(111) surface

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    We propose an orbital-selective model for the transport and magnetic properties of the individual Co impurity deposited on the Pt(111). Using the combination of the Anderson-type Hamiltonian and the Kubo's linear response theory we show that the magnetization and dI/dV spectrum of Co adatom are originated from the 3d states of the different symmetry. A textbook expression for the spin-dependent differential conductance provides a natural connection between magnetic and transport properties of Co/Pt(111). We found that it is possible to detect and to manipulate the different 3d states of the Co adatom by tuning the spin polarization of the tip and tip-impurity distance in STM experiments

    Coulomb interactions and screening effects in few-layer black phosphorus: A tight-binding consideration beyond the longwavelength limit

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    Coulomb interaction and its screening play an important role in many physical phenomena of materials ranging from optical properties to many-body effects including superconductivity. Here, we report on a systematic study of dielectric screening in few-layer black phosphorus (BP), a twodimensional material with promising electronic and optical characteristics. We use a combination of a tight-binding model and rigorously determined bare Coulomb interactions, which allows us to consider relevant microscopic effects beyond the long-wavelength limit. We calculate the dielectric function of few-layer BP in the random phase approximation and show that it exhibits strongly anisotropic behavior even in the static limit. We also estimate the strength of effective local and non-local Coulomb interactions and determine their doping dependence. We find that the pz states responsible for low-energy excitations in BP provide a moderate contribution to the screening, weakening the on-site Coulomb interaction by less that a factor of two. Finally, we calculate the full plasmon spectrum of few-layer BP and discuss the effects beyond long-wavelengths. © 2017 IOP Publishing Ltd

    USING THE MODERN THEORY OF MAGNETIC SUSCEPTIBILITY APPROACH TO DESCRIBE THE LOW-DIMENSIONAL MATERIALS: TWO-DIMENSIONAL ANTIMONY

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    Antimonene is a recently discovered two-dimensional material with high environmental stability and great electronic properties. We report on a computational study of magnetic response of antimonene focusing on the effect of gate voltage, playing an important role due to the structure of material.This work was supported by the Russian Science Foundation Grant № 21-12-00338

    Reformation of system of emergency medical help for injured persons on early hospital stage

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    Objective. To determine the key trend of reformation of the system of the emergent medical help to the injured persons on early hospital stage. Маterials and methods. The systemic analysis, including a bibliographical one, semantic and economic methods of investigation, as well as organization of the medical help delivery to the injured persons in USA. Results. The system of the emergency medical help delivery to the injured persons is based on the trauma centers net. Treatment of the injured persons, suffering severe trauma in the centers of trauma is by 40 - 60% more effective and by 50 - 60% more cost-effective, than in surgical/traumatological departments of the national Medical Health Service. The system of Emergency Medical Help for injured persons on early hospital stage in Ukraine demands organization of no less than 30 Centers of Trauma of the level І on the base of the University Regional Hospitals and in the cities with more than 1 million of inhabitants; approximately 200 the Level II Centers of Trauma on the base of multidisciplinary hospitals for intensive treatment of the second level and 300 the Level III trauma centers on the base of multidisciplinary hospitals for intensive treatment of the first level. Complete need for Ukraine constitutes 530 Centers of Trauma. Conclusion. The system for the Emergency Medical Help Delivery to the injured persons must be based on the net of the Trauma Centers of a certain level. The trauma centers organization needs some preliminary work to do: to study the traumatism indices, analysis of the regional need in medical help delivery and depicting of the National Trauma Registry. Trauma Centers in Ukraine is expedient to create on the base of the university regional hospitals, multidisciplinary hospitals of intensive therapy and hospitals of urgent medical help. Possibility of inclusion to the medical help delivery of such specialists, as a surgeon, anesthesiologist, traumatologist and neurosurgeon, constitutes an obligatory element of the trauma center organization. Financial support for the medical help delivery to the injured persons, suffering severe combined trauma, demands additional input of the nonbudget resources
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