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Wyniki wyszukiwania dla: transition dipole moment function
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Permanent dipole moment functions of the KRb molecule
Dane BadawczeElectronic permanent dipole moment functions (PDMF) have been calculated for the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states of the KRb molecule. PDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the permanent dipole moments have been...
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Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
PublikacjaThe present work aimed to assess six diaryl sulfide derivatives as potential corrosion inhibitors. These derivatives were compared with dapsone (4,4′-diaminodiphenyl sulfone), a common leprosy antibiotic that has been shown to resist the corrosion of mild steel in acidic media with a corrosion efficiency exceeding 90%. Since all the studied compounds possess a common molecular backbone (diphenyl sulfide), dapsone was taken as the...
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Unravelling the role of electron–hole pair spin in exciton dissociation in squaraine-based organic solar cells by magneto-photocurrent measurements
PublikacjaA high absorption coefficient and narrow absorption bands in squaraine (SQ) dyes have resulted in rapidly growing interest in them as a donor material in photovoltaic devices. The exciton dissociation process in organic systems proceeds via a multistep mechanism where the electron–hole pairs (charge transfer states) involved in the current generation process determine the recombination losses and subsequently limit the overall...
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Growth, Crystal Structure and Magnetic Characterization of Zn-Stabilized CePtIn4
PublikacjaThe growth and characterization of CePtIn4, stabilized by 10% Zn substitution for In, is reported. The new material is orthorhombic, space group Cmcm (No. 63), with lattice parameters a = 4.51751(4) Å, b = 16.7570(2) Å, and c = 7.36682(8) Å, and the refined crystal composition has 10% of Zn substituted for In, i.e., the crystals are CePt(In0.9Zn0.1)4. Crystals were grown using a self-flux method: only growths containing Zn yielded...
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Channel Blockage and Flow Maldistribution during Unsteady Flow in a Model Microchannel Plate heat Exchanger
PublikacjaThis paper describes the problem of channel blockage as a result of flow maldistribution between the channels of a model mini channel plate heat exchanger consisting of one pass on each leg. Each leg of the heat exchanger contains 51 parallel and rectangular minichannels of four hydraulic diameters namely 461 μm, 571 μm, 750 μm and 823 μm. In addition, a more complex geometry has been investigated where for the sake of breaking...
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Ab initio study of phenyl benzoate: structure, conformational analysis, dipole moment, IR and Raman vibrational spectra
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Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions
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Cloud-to-ground lightning dipole moment from simultaneous observations by ELF receiver and combined direction finding and time-of-arrival lightning detection system
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The influence of strain on the Verwey transition as a function of dopant concentration: towards a geobarometer for magnetite-bearing rocks
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Stark-induced magnetic anapole moment in the ground state of the relativistic hydrogenlike atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublikacjaZnaleziono magnetyczny moment anapolowy indukowany w stanie podstawowym relatywistycznego atomu jednoelektronowego przez zewnętrzne stałe, słabe, jednorodne pole elektryczne. Podano wyrażenie analityczne dla polaryzowalności anapolowej takiego atomu. Obliczenia wykonano, stosując rozwinięcie sturmowskie uogólnionej funkcji Greena-Diraca-Coulomba.
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Reply to “Comment on ‘Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions'” by B. P. van Eijck and J. Kroon
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Electric-field-induced magnetic quadrupole moment in the ground state of the relativistic hydrogenlike atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublikacjaStosując rozwinięcie sturmowskie uogólnionej funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla magnetycznego momentu kwadrupolowego, indukowanego przez zewnętrzne słabe, stałe, jednorodne pole elektryczne w stanie podstawowym relatywistycznego atomujednoelektronowego.
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Gordon decomposition of the static dipole polarizability of the relativistic hydrogen-like atom: application of the Sturmian expansion of the first-order Dirac-Coulomb Green function.
PublikacjaWyprowadzono analityczne wyrażenie dla statycznej polaryzowalności dipolowej relatywistycznego atomu jednoelektronowego w stanie podstawowym. Dokonano rozkładu Gordona polaryzowalności. Pokazano, że polaryzowalność ma charakter czysto konwekcyjny.
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Magnetic field-induced electric quadrupole moment in the ground state of the relativistic hydrogen-like atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublikacjaStosując rozwinięcie sturmowskie funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla elektrycznego momentu kwadrupolowego, indukowanego przez zewnętrzne pole magnetyczne w relatywistycznym atomie wodoropodobnym w stanie podstawowym. Wykazano, że jest to efekt czysto relatywistyczny.
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Electric and magnetic dipole shielding constans for the ground state of the relativistic hydrogen-like atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublikacjaStosując rozwinięcie sturmowskie funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla stałych ekranowania elektrycznego i magnetycznego relatywistycznego atomu wodoropodobnego w stanie podstawowym.
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Gracjana Klein-Raina dr hab.
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Structure and optical measurements of Eu doped tellurium oxide thin films
Dane BadawczeThin films were deposited by magnetron sputtering method and simultaneously heated at 200 oC. Presence of Eu ions and their valence states was confirmed by X-ray photoemission spectroscopy measurements. The structure of the films as well as the influence of europium dopant on crystalline structure of the films was examined by X-ray diffraction method. ...
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Dynamic polarizability of the relativistic hydrogenlike atom: Application of the Sturmian expansion of the Dirac-Coulomb Green function
PublikacjaWe utilize the Sturmian expansion of the Dirac-Coulomb Green function [R. Szmytkowski, J. Phys. B 30, 825 (1997)] to obtain components of the dynamic dipole polarizability tensor of the relativistic hydrogenlike atom in the ground state. It is found that the tensor may be expressed in terms of two independent quantities: a scalar polarizability and a vector polarizability, the latter being of the relativistic origin. In the static...
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The Role of Molecular Structure in Monte Carlo Simulations of the Secondary Electron Yield and Backscattering Coefficient from Methacrylic Acid
PublikacjaIn this paper, we show the influence of the chemical structure of four different conformers on the secondary electron emission and backscattering of an electron beam from a gel of methacrylic acid. The conformers have different permanent dipole moments, which determines the cross sections for elastic collisions with electrons. The cross sections are used in Monte Carlo simulations of an electron beam, which enters the gel of methacrylic...
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Second-order Stark effect and polarizability of a relativistic two-dimensional hydrogenlike atom in the ground state
PublikacjaThe second-order Stark effect for a planar Dirac one-electron atom in the ground state is analyzed within the framework of the Rayleigh-Schrödinger perturbation theory, with the use of the Sturmian series expansion of the generalized Dirac-Coulomb Green's function. A closed-form analytical expression for the static dipole polarizability of that system is found. The formula involves the generalized hypergeometric function ${}_{3}F_{2}$...
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Simulation of signal acquisition from a rotary flowmeter
Dane BadawczeThe dataset contains results of simulation measuring the flow of homogeneous substances by rotational flow meter: a moment of impulse at the output of flow meter, time between successive pulses, number of pulses counted from standard generator and relative error of measurement.
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The Concept of Using the Decision-Robustness Function in Integrated Navigation Systems
PublikacjaThe diversity and non-uniformity of the positioning systems available in maritime navigation systems often impede the watchkeeping officer in the selection of the appropriate positioning system, in particular, in restricted basins. Thus, it is necessary to introduce a mathematical apparatus to suggest, in an automated manner, which of the available systems should be used at the given moment of a sea trip. Proper selection of the...
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Analysis of balancing of four stroke V6 engines
PublikacjaAnalysis of balance of V6 engines with a common-pin crankshaft depending on a cylinder bank angle and the crank radius to connecting rod length ratios , based on the relations derived, is presented in the paper. The bank angles providing the lowest moment of inertia forces in reciprocating motion, for selected values, were determined. The position of the plane of the main counterweights in order to maximum balance of the moment...
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A Diagnostic Method Based on Deflection Analysis for Monitoring Post-elastic Response of Beams
PublikacjaA non-destructive diagnostic method based on deflection analysis for monitoring the post-elastic response of beams was developed, and a diagnostic indicator was proposed. The indicator was defined as the second moment of the normalised curvature function about the mid-span, where the curvature was computed from the normalised deflection function. Elastic reference values of the indicator were computed for simply supported beams...
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Rapid dimension scaling of triple-band antennas by means of inverse surrogate modeling
PublikacjaGeometry scaling of antennas, i.e., finding optimum dimensions of the structure for given operating conditions and material parameters is an important yet challenging problem. In this paper, we discuss fast dimension scaling of triple-band antennas with respect to operating frequencies. We adopt the inverse surrogate modeling approach where the surrogate model is a function of the three operating frequencies of the antenna and...
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Optymalizacja długości krzywych przejściowych przy budowie i modernizacji linii kolejowych
PublikacjaW drogach szynowych przy obliczaniu długości krzywych przejściowych analizowane są jedynie warunki na ich długość minimalną. Odmienna sytuacja występuje przy projektowaniu dróg, gdzie rozpatrywane są też warunki na długość maksymalną. Spośród nich szczególną rangę ma warunek poprawności geometrycznej układu. W artykule zawarto jego adaptację do specyfiki trasy kolejowej. Sformułowano cel optymalizacji przy obliczaniu długości krzywej...
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Tunable Dielectric Switching of (Quinuclidinium)[MnCl4] Hybrid Compounds
PublikacjaInorganic−organic hybrid QMnCl (Q = quinuclidinium) crystals were synthesized and characterized. The X-ray and variable-temperature IR/Raman analysis demonstrate that the crystals undergo a reversible structural phase transition, which originates from an order−disorder process and is related to the dynamics of the organic Q cation. Dielectric function measurements disclose a switchability between low (“OFF”) and high (“ON”) dielectric...
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Reduced-cost surrogate modeling of input characteristics and design optimization of dual-band antennas using response features
PublikacjaIn this article, a procedure for low-cost surrogate modeling of input characteristics of dual-band antennas has been discussed. The number of training data required for construction of an accurate model has been reduced by representing the antenna reflection response to the level of suitably defined feature points. The points are allocated to capture the critical features of the reflection characteristic, such as the frequencies...
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Closed-form expression for the magnetic shielding constant of the relativistic hydrogenlike atom in an arbitrary discrete energy eigenstate: Application of the Sturmian expansion of the generalized Dirac–Coulomb Green function
PublikacjaWe present analytical derivation of the closed-form expression for the dipole magnetic shielding constant of a Dirac one-electron atom being in an arbitrary discrete energy eigenstate. The external magnetic field, by which the atomic state is perturbed, is assumed to be weak, uniform, and time independent. With respect to the atomic nucleus we assume that it is pointlike, spinless, motionless, and of charge Ze. Calculations are...
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Calculation of electron scattering lengths on Ar, Kr, Xe, Rn and Og atoms
PublikacjaFocusing on the noble gases, we calculate the scattering potential using the Dirac-Coulomb Hamiltonian supplemented with a model polarization potential. We determine the scattering lengths using two methods, namely phase shifts for very small scattering energies and the shape of the wave function for zero scattering energy. We compare our theoretical electron scattering length results on Ar, Kr and Xe atoms with existing experimental...
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Flow Maps and Flow Patterns of R1233zd(E) in a Circular Minichannel at Low, Medium and High Values of Saturation Pressure
PublikacjaThere is a gap in knowledge regarding the flow pattern of low-boiling working fluids in the range of high saturation temperatures (above 120°C) and medium and high reduced pressures (0.5-0.9). Data are present in the literature for similar values of reduced pressures, but for lower values of saturation temperature. This is due to the existing refrigeration applications of these working fluids. At high values of reduced pressure,...
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Nonlinear and linear impedance of bismuth vanadate ceramics and its relation to structural properties
PublikacjaThe nonlinear and linear electrical properties, topography, and microstructure of bismuth-vanadate ceramics, were studied. The structurewas observed with the use of X-ray diffraction (XRD), scanning electronmicroscopy (SEM), atomic force microscopy (AFM) and confocal microscopy methods. The obtained results showed that ceramic is porous. Two phase transitionswere determinedwith the use of DSC measurements. The linear and nonlinear ac...
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Influence of water and mineral oil on the leaks in satellite motor commutation unit clearances
PublikacjaThe article describes the flow rates of mineral oil and water flowing, as working media, through the commutation unit of a hydraulic satellite motor. It is demonstrated that geometrical dimensions of commutation unit clearances change as a function of the machine shaft rotation angle. Methods for measuring the rate of this flow and the pressure in the working chamber are presented. The results of pressure measurements in the working...
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Hybrid Technique Combining the FDTD Method and Its Convolution Formulation Based on the Discrete Green's Function
PublikacjaIn this letter, a technique combining the finite-difference time-domain (FDTD) method and its formulation based on the discrete Green's function (DGF) is presented. The hybrid method is applicable to inhomogeneous dielectric structures that are mutually coupled with wire antennas. The method employs the surface equivalence theorem in the discrete domain to separate the problem into a dielectric domain simulated using the FDTD method...
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Magnetic-field-induced electric quadrupole moments for relativistic hydrogenlike atoms: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublikacjaWe consider a Dirac one-electron atom placed in a weak, static, uniform magnetic field. We show that, to the first order in the strength of the external field, the only electric multipole moments, which are induced by the perturbation in the atom, are those of an even order. Using the Sturmian expansion of the generalized Dirac-Coulomb Green function we derive a closed-form expression for the electric quadrupole moment induced...
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Global Optimization for Recovery of Clipped Signals Corrupted With Poisson-Gaussian Noise
PublikacjaWe study a variational formulation for reconstructing nonlinearly distorted signals corrupted with a Poisson-Gaussian noise. In this situation, the data fidelity term consists of a sum of a weighted least squares term and a logarithmic one. Both of them are precomposed by a nonlinearity, modelling a clipping effect, which is assumed to be rational. A regularization term, being a piecewise rational approximation of the ℓ0 function...
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Force-deformation spectroscopy in contact mode
Dane BadawczeThe deformation-distance spectroscopic curve is obtained by registering the value of the probe cantilever deflection as a function of the elongation of the piezoelectric scanner. It assumes a simple relationship in the form of Hooke’s law, linking the deformation of the lever with the amount of its deflection caused by the proximity of the probe and...
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Tailoring structural properties of lanthanum orthoniobates through an isovalent substitution on the Nb-site
PublikacjaTetragonal polymorph of lanthanum orthoniobate can be stabilized to room temperature by the substitution of Nb with an isovalent element. LaNb1-xAsxO4 (0 < x ≤ 0.3), where As is an element stabilizing tetragonal structure, were successfully synthesized with combined co-precipitation and solid-state reaction method. The phase transition temperature, above which the material has tetragonal structure, decreases linearly with increasing...
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Antagonist adhesion effects due to variable substrate surface
PublikacjaThe effects of variability of intrinsic adhesion within a joint have been studied using a single cantilever beam (SCB) test. Fracture energy was found not to be a simple function of relative areas of 2 surface pre-treatments: a 'weak' zone decreased strength more than expected from simple, additive considerations. By severing the adhesive along the strong-weak transition, fracture energy increased.The prior antagonist effect appears...
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Continuum orbitals in low energy scattering of electrons from Ar, Kr, Xe, Rn and Og atoms
Dane BadawczeThe dataset includes relativistic continuum electron wave functions (continuum orbitals, continuum spinors) for elastic scattering of electrons from Argon (Ar), Krypton (Kr), Xenon (Xe), Radon (Rn) and Oganesson (Og) atoms, calculated using the Multiconfiguration Dirac-Hartree-Fock method (MCDHF), at very low electron energies (0.0001 - 0.001 eV). Only...
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Thin-walled cross section shape influence on steel member resistance.
PublikacjaThis work describes why trending thin-walled technology is achieving popularity in steel construction sector. A purpose of this article is to present the influence of the cold-formed element cross-section shape on an axial compression and a bending moment resistance. The authors have considered four different shapes assuming constant section area and thickness. Calculations were based on three different steel grades taking into...
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The basics of design and experimental tests of the commutation unit of a hydraulic satellite motor
Publikacjahe article presents an analytical method to design the commutation unit in a hydraulic satellite motor. It is shown that the size of the holes feeding the working chambers and their location on the plates closing those chambers depends on the geometrical dimensions of the working mechanism. The overlap in the commutation unit depends on the rotational speed range. It is demonstrated that the geometrical dimensions of the commutation...
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Structural Reliability Assessment Of Corroded Tanker Ship Based On Experimentally Estimated Ultimate Strength
PublikacjaThis work deals with the reliability assessment of a tanker ship hull structure subjected to a vertical bending moment and corrosion degradation. The progressive collapse and ultimate load carrying capacity are estimated based on experimentally tested scaled box-shaped-specimens. The translation of the strength estimate of the scaled specimen to the real tanker ship hull structure is performed based on the dimensional theory developing...
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The consideration to the dynamic systems parameter identification
PublikacjaIn this paper, a concept for continuous-time dynamic systems parameter identification using modulating function approach is presented. It refers to linear as well as selected non-linear systems. It shows the possibility of direct application without converting differential equation. In particular cases direct application can decrease the amount of computation in non-linear system identification, which generally requires Fourier...
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A Subspace-Splitting Moment-Matching Model-Order Reduction Technique for Fast Wideband FEM Simulations of Microwave Structures
PublikacjaThis article describes a novel model-order reduction (MOR) approach for efficient wide frequency band finite-element method (FEM) simulations of microwave components. It relies on the splitting of the system transfer function into two components: a singular one that accounts for the in-band system poles and a regular part that has no in-band poles. In order to perform this splitting during the reduction process, the projection...
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Sensitivity of entanglement decay of quantum-dot spin qubits to the external magnetic field
PublikacjaWe study the decay of entanglement of quantum-dot electron-spin qubits under hyperfine-interaction-mediated decoherence.We show that two-qubit entanglement of a single entangled initial state may exhibit decay characteristic of two disentanglement regimes in a single sample, when the externalmagnetic field is changed. The transition is manifested by the suppression of time-dependent entanglement oscillations which are superimposed...
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Insight into heart regeneration
PublikacjaThe mammalian heart is thought to be incapable of regeneration because of the limited ability of cardiomyocytes. to proliferate. However, it has been recently shown that the neonatal murine heart is able to restore its normal function after coronary artery ligation or even partial resection. Unfortunately, this feature is lost in a few days after birth, although lower vertebrates as zebrafish or newt, retain this ability until adulthood. Therefore,...
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Simulation-driven size-reduction-oriented design of multi-band antennas by means of response features
PublikacjaThis study addresses the problem of explicit size reduction of multi-band antennas by means of simulation-driven optimisation. The principal difficulty of electromagnetic (EM)-based miniaturisation of multi-band antennas is that several resonances have to be controlled independently (both in terms of their frequency allocation and depth) while attempting to reduce physical dimensions of the structure at hand. The design method...
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Effect of Cr and Mn doping on ferroelectric and dielectric properties of Li1.72Na0.28Ge4O9 single crystals
PublikacjaLi1.72Na0.28Ge4O9 single crystals pure and slightly doped with chromium and manganese, obtained by Czochralski growth, were investigated for their ferroelectric and dielectric properties. The change in stoichometry of Li2− x Na x Ge4O9 (x = 0.28) crystals doped with Cr and Mn (0.1 mol.%) had an influence on the value of ferroelectric-to-paraelectric phase transition temperature, T c. The applied doping affects the T c value by...
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The chemical and mechanical pressure influence on chromium luminescence
Dane BadawczeIn this study, we aim to compare the changes in the luminescence properties of Ga2O3:Cr3+ modified by Al or Sc ion substitution (chemical pressure) and hydrostatic pressure. We find the same behavior for Ga2–xAlxO3:Cr3+ and different behavior for Ga2–xScxO3:Cr3+ in terms of the optical properties under chemical and mechanical pressure. We consider Al...