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Doped luminescent materials are provided for converting excited triplet states to radiative hybrid states. The doped materials may be used to conduct pulse shape discrimination (PSD) using luminescence generated by harvested excited triplet states. The doped materials may also be used to detect particles using spectral shape discrimination (SSD).
Bipyridyl thorium metallocenes [5-1,2,4-(Me3C)3C5H2]2Th(bipy) (1) and [5-1,3-(Me3C)2C5H3]2Th(bipy) (2) have been investigated by magnetic susceptibility and computational studies. The magnetic susceptibility data reveal that 1 and 2 are not diamagnetic, but they behave as temperature independent paramagnets (TIPs). To rationalize this observation, density functional theory (DFT) and complete active space SCF (CASSCF) calculations have been undertaken, which indicated that Cp2Th(bipy) has indeed a Th(IV)(bipy2-) ground state (f0d0 2, S = 0), but the open-shell singlet (f0d1 1, S = 0) (almost degenerate with its triplet congener) is lying only 9.2 kcal/mol higher in energy. Complexes 1 and 2 react cleanly with Ph2CS to give [ 5-1,2,4-(Me3C)3C5H2]2Th[(bipy)(SCPh2)] (3) and [ 5-1,3-(Me3C)2C5H3]2Th[(bipy)(SCPh2)] (4), respectively, in quantitative conversions. Since no intermediates were observed experimentally, this reaction was also studied computationally. Coordination of Ph2CS to 2 in its S = 0 ground state is not possible, but Ph2CS can coordinate to 2 in its triplet state (S = 1) upon which a single electron transfer (SET) from the (bipy2-) fragment to Ph2CS followed by C-C coupling takes place.
Taking into account the negative results of direct searches for beyond the Standard Model fields and the consequent mass gap between Standard Model and possible unknown states, the use of electroweak effective theories is justified. Whereas at low energies we consider a non-linear realization of the electroweak symmetry breaking with a singlet Higgs and a strongly-coupled ultraviolet completion, at higher energies the known particles are assumed to be coupled to heavy states: bosonic fields with $J^P=0^\pm$ and $J^P=1^\pm$ (in electroweak triplets or singlets and in QCD octets or singlets) and fermionic states with $J=\frac{1}{2}$ (in electroweak doublets and in QCD triplets or singlets). By integrating out these heavy resonances, the pattern of next-to-leading order low-energy constants among the light fields can be studied. A phenomenological study trying to estimate the scale of these resonances is also shown.
The high-luminosity upgrade of the large hadron collider (HL-LHC) requires new high-field and large-aperture quadrupole magnets for the low-beta inner triplets (MQXF). The US Hilumi-LHC Accelerator Upgrade (HL-LHC AUP) and CERN are jointly developing a 150 mm aperture Nb3Sn magnet. Due to the large beam size and orbit displacement in the final focusing triplet, MQXF has challenging field quality targets at collision energy. Magnetic measurements have been performed both at ambient and cryogenic temperatures in the four short models built and tested. This paper presents the magnetic analysis, comparing field measurements with the expectations and the field quality requirements. The analysis is focused on the geometrical harmonics and iron saturation effect, including three dimensional effects and transfer function repeatability. Persistent currents and dynamic effects are also discussed.
An organic light emitting device is disclosed whose emissive layer has a host material, a first emissive dopant, and a second dopant. The second dopant is an excited energy state managing dopant provided in an amount between 2-10 vol. % of the emissive layer and has a lowest triplet state energy level, TM, that is higher than a lowest triplet state energy levels, T1, of both the host and the first dopant and lower than the multiply-excited energy level, T*, of the first dopant.
An OLED lighting device comprising: a blue light-emitting unit with a blue-light fluorescent, phosphorescent or TADF emitter; a yellow light-emitting electroluminescent unit comprising a green phosphorescent emitter, a red phosphorescent emitter and at least one non-emitting host; wherein the blue light-emitting unit and the yellow light-emitting unit are separated by a mixed interlayer with two non-emitting charge-carrier materials. Desirably, the yellow-light emitting unit essentially consists of a green phosphorescent emitter, a red phosphorescent emitter and a single non-emitting host. The mixed interlayer desirably has more than 50% of a hole-transporting material and an electron-transporting material. The Triplet Energy of both materials in the mixed interlayer can be higher than the Triplet Energies of the R and G phosphorescent dopants. The HOMOs of both materials in the mixed interlayer are more negative than the HOMO of the host in the yellow unit but less negative than the HOMO of the host in the blue unit. The LUMOs of the materials in the mixed interlayer can be more negative than the LUMO of the host in the yellow unit but less negative than the LUMO of the host in the blue unit. The OLED lighting device is spectrally tunable according to the supplied power.
Parity symmetry, with an extended gauge group $SU(3)_c \times SU(2)_L \times SU(2)_R \times U(1)_X$, can solve the strong CP problem. In particular, the model where $SU(2)_R\times U(1)_X$ is broken by the Parity partner of the Standard Model Higgs solves the strong CP problem without the necessity of introducing extra symmetry. We discuss the possibility of accidentally stable dark matter in this framework and show that $SU(2)_L \times SU(2)_R$ bi-triplet fermions can be stable over cosmological timescales. We compute the relic abundance of the bi-triplet dark matter and derive constraints on the parameter space from collider, direct-detection, and indirect-detection experiments. The $SU(2)_R\times U(1)_X$ symmetry breaking scale is required to be below 150 TeV, and most of the parameter space can be probed by near-future indirect-detection experiments.
Abstract Quantum magnetic properties in a geometrically frustrated lattice of spin‐1/2 magnet, such as quantum spin liquid or solid and the associated spin fractionalization, are considered key in developing a new phase of matter. The feasibility of observing the quantum magnetic properties, usually found in geometrically frustrated lattice of spin‐1/2 magnet, in a perovskite material with controlled disorder is demonstrated. It is found that the controlled chemical disorder, due to the chemical substitution of Ru ions by Co‐ions, in a simple perovskite CaRuO 3 creates a random prototype configuration of artificial spin‐1/2 that forms dimer pairs between the nearest and further away ions. The localization of the Co impurity in the Ru matrix is analyzed using the Anderson localization formulation. The dimers of artificial spin‐1/2, due to the localization of Co impurities, exhibit singlet‐to‐triplet excitation at low temperature without any ordered spin correlation. The localized gapped excitation evolves into a gapless quasi‐continuum as dimer pairs break and create freely fluctuating fractionalized spins at high temperature. Together, these properties hint at a new quantum magnetic state with strong resemblance to the resonance valence bond system.
We consider a comprehensive set of simplified models that contribute to final states with top and bottom quarks at the LHC. These simplified models are used to create minimal search strategies that ensure optimal coverage of new heavy flavor physics involving the pair production of color octets and triplets. We provide a set of benchmarks that are representative of model space, which can be used by experimentalists to perform their own optimization of search strategies. For data sets larger than 1 fb{sup -1}, same-sign dilepton and 3b search regions become very powerful. Expected sensitivities from existing and optimized searches are given.
We address a minimal model to describe the charge degree of freedom in the CuO{sub 2} planes with the on-site Hilbert space reduced to only a charge triplet of the three effective valence centers, nominally Cu{sup 1+;2+;3+}, and made use of the S = 1 pseudospin formalism. The 2D S = 1 pseudospin system is prone to a creation of different topological structures which form topologically protected inhomogeneous distributions of the eight local S = 1 pseudospin order parameters including charge density and superfluid order parameters. We focus on the so-called quadrupole skyrmion which is believed to be a candidate for a topological charge excitation in parent or underdoped cuprates. Puzzlingly, such an unconventional structure is characterized by a uniform distribution of the mean on-site charge that makes the quadrupole skyrmion texture to be invisible for X-rays. We suppose that the parent insulating antiferromagnetic cuprates may be unstable with regard to nucleation of topological defects in the unconventional form of the one- or multi-center skyrmion-like object with ring-shaped superfluid regions.
The configuration model generates random graphs with any given degree distribution, and thus serves as a null model for scale-free networks with power-law degrees and unbounded degree fluctuations. For this setting, we study the local clustering c(k), i.e., the probability that two neighbors of a degree-k node are neighbors themselves. We show that c(k) progressively falls off with k and the graph size n and eventually for k=Ω(√n) settles on a power law c(k)∼n{sup 5−2τ}k{sup −2(3−τ)} with τ∈(2,3) the power-law exponent of the degree distribution. This fall-off has been observed in the majority of real-world networks and signals the presence of modular or hierarchical structure. Our results agree with recent results for the hidden-variable model and also give the expected number of triangles in the configuration model when counting triangles only once despite the presence of multi-edges. We show that only triangles consisting of triplets with uniquely specified degrees contribute to the triangle counting.
The exchange interaction parameters were calculated and the spin density distribution over the organic skeleton of the 1,3,5,7-tetramethyl-2,6-diazaadamantane N,N’-dioxyl biradical was studied based on the results of quantum chemical modeling of the biradical structure by the DFT method using various hybrid functionals (UB3LYP, LC-wPBE, UCAM-B3LYP, UHSEH1PBE) with the 6-311++G(2d,2p) basis set and by the UHF method with the same basis set. The characteristics of the direct orbital overlap between the N atoms of the two nitroxide groups were determined. The values of the J constant, obtained using different calculation methods, were found to be similar to each other. It was established that there is ferromagnetic exchange interaction between the radical sites in the system in question, which occurs predominantly according to the spin polarization mechanism in the 2,6-diazaadamantane core, and the various spin density transfer pathways through the C atoms of the organic skeleton were found to be nonequivalent. The direct overlap of the upper singly-occupied МОs with localization on the nitroxide groups led to a noticeable additional contribution of the antiferromagnetic exchange interaction. Despite the latter factor, the total contribution of these two mechanisms (spin polarization and direct through-space exchange) resulted in the triplet ground state in the biradical studied.
Photonics of tetramethoxy-1,4-distyrylbenzene in MeCN was studied by absorption, luminescence, and laser kinetic spectroscopies. Photoinduced transformations of the compound in question involve cis–trans-isomerization, intersystem crossing, fast and delayed fluorescence, and electron transfer. The ground-state structure and vibrational spectrum, as well as the energies and structures of excited singlet and triplet states were calculated by the DFT/PBE and TDDFT/PBE0 methods. The assignment of vibronic bands in the absorption spectra was made and the energies of corresponding transitions were calculated.
The photophysical processes and photochemical reactions of 4-[(E)-2-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecyn-18-yl)vinyl]-1-ethylpyridinium perchlorate and its complexes with cucurbit[7]uril in water in the absence and in the presence of lead perchlorate were studied by absorption, luminescence, and laser kinetic spectroscopy. Intersystem crossing to the triplet state and trans—cis-photoisomerization of the dye were established. The formation of an inclusion complex of the dye with cucurbit[7]uril was found.
The rate constants of photophysical processes (radiation rate constant, internal conversion rate constant, and quantum fluorescence yield) have been calculated for the tetraoxa[8]circulene molecule by the INDO/S, TDDFT, and CC2 methods. It is confirmed that the doubly degenerate triplet level Т{sub 2} and the level Т{sub 1} are located below the first singlet excited level S{sub 1}. According to the selection rules for the angular momentum, the spin-orbit interaction between the levels S{sub 1} and T{sub 1} (S{sub 1} and T{sub 2}) is equal to zero. Therefore, the internal conversion is the only nonradiative channel in this molecule. The results of calculations also demonstrate that values of the internal conversion rate constant and the quantum fluorescence yield obtained by the INDO/S method are incorrect.
The electric dipole oscillator strengths for lines between some singlet and triplet levels have been calculated using the weakest bound electron potential model theory and the quantum defect orbital theory for Be I. In the calculations both multiplet and fine structure transitions are studied. We employed both the numerical Coulomb approximation method and numerical non-relativistic Hartree-Fock wavefunctions for expectation values of radii. The necessary energy values have been taken from experimental energy data in the literature. The calculated oscillator strengths have been compared with available theoretical results. A good agreement with the results in the literature has been obtained.
Highlights: • Lowest 110 levels for Ba XXVI are calculated. • Radiative data for E1, E2, M1 and M2 transitions within lowest 110 levels are presented. • Lifetimes for lowest 110 fine structure levels are provided. We report an extensive and an elaborate theoretical study of atomic data for Ba XXVI by considering Singlet, Doublet and Triplet (SDT) electron excitations within N-shell and single excitations from N-shell to O-shell. We have calculated energy levels and lifetimes for lowest 110 fine structure levels by using Multi-configuration Dirac–Fock method (MCDF). We have also considered Quantum Electrodynamics (QED) and Breit corrections in our calculations. We have presented the radiative data for electric and magnetic dipole (E1, M1) and quadrupole (E2, M2) transitions among lowest 110 levels. We have made comparisons of our calculated excitation energies and EUV (Extreme Ultraviolet) transition wavelengths with experimentally observed energy levels and wavelengths and achieved good agreement. We have also computed energy levels by performing similar relativistic distorted wave calculations using Flexible Atomic Code (FAC). Additionally, we have provided new atomic data for Ba XXVI which are not published elsewhere in the literature. We believe that our results may be beneficial in fusion plasma research and astrophysical investigations and applications.
We have taken advantage of the existence of some experimental Mn II hyperfine magnetic dipole constant (A) values given in literature with low uncertainties to achieve for a first time an accurate hyperfine structure (hfs) parametric study. The monoelectronic hfs parameter values were extracted in their entirety for the alone stable {sup 55}Mn II. For example for 3d{sup 4}4s configuration we obtain: a{sub 4s}{sup 10}=198.08 mk and a{sub 3d}{sup 01}=17.14 mk. These semi-empirically extracted single-electron parameters were analyzed and compared with ab-initio calculations. In this first part of a global work, devoted particularly to even-parity levels we have at beginning studied a fine structure of two hundred levels, giving their leading eigenvector percentages and their calculated Landé-factor g{sub J}. We present also predicted singlet, triplet and quintet positions of missing experimental levels up to 120 000 cm{sup −1}, not far from Mn II ionization energy of 126 000 cm{sup −1}. We close this work by giving predicted values of magnetic dipole hfs constants of all known levels of the most relevant Mn II even-parity configuration: 3d{sup 4}4s, whose splitting is not yet measured.