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Register a new userTowards understanding the special stability of ${text{SrCo}text{O}_{2.5}}$ and ${text{HSrCo}text{O}_{2.5}}$
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Reversible hydrogen incorporation was recently attested [N. Lu, $textit{et al.}$, Nature $textbf{546}$, 124 (2017)] in ${text{SrCo}text{O}_{2.5}}$, the brownmillerite phase (BM) of strontium cobalt oxide (SCO), opening new avenues in catalysis and energy applications. However, existing theoretical studies of BM-SCO are insufficient, and that of ${text{HSrCo}text{O}_{2.5}}$, the newly-reported hydrogenated SCO (H-SCO), is especially scarce. In this work, we demonstrate how the electron-counting model (ECM) can be used in understanding the phases, particularly in explaining the stability of the oxygen-vacancy channels (OVCs), and in examining the Co valance problem. Using density-functional theoretical (DFT) methods, we analyze the crystalline, electronic, and magnetic structures of BM- and H-SCO. Based on our structure search, we discovered stable phases with large bandgaps (> 1 eV) for both BM-SCO and H-SCO, agreeing better with experiments on the electronic structures. Our calculations also indicate limited charge transfer from H to O that may explain the special stability of the H-SCO phase and the reversibility of H incorporation observed in experiments. In contrary to the initial study, our calculation also suggests intrinsic antiferromagnetism (AFM) of H-SCO, showing how the measured ferromagnetism (FM) has possible roots in hole doping.
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We report new results for the elastic constants studied in Faraday and Cotton-Mouton geometry in Tb$_3$Ga$_5$O$_{12}$ (TGG), a frustrated magnetic substance with strong spin-phonon interaction and remarkable crystal-electric-field (CEF) effects. We analyze the data in the framework of CEF theory taking into account the individual surroundings of the six inequivalent Tb$^{3+}$-ion positions. This theory describes both, elastic constants in the magnetic field and as a function of temperature. Moreover we present sound-attenuation data for the acoustic Cotton-Mouton effect in TGG.
Generic text embeddings are successfully used in a variety of tasks. However, they are often learnt by capturing the co-occurrence structure from pure text corpora, resulting in limitations of their ability to generalize. In this paper, we explore models that incorporate visual information into the text representation. Based on comprehensive ablation studies, we propose a conceptually simple, yet well performing architecture. It outperforms previous multimodal approaches on a set of well established benchmarks. We also improve the state-of-the-art results for image-related text datasets, using orders of magnitude less data.
New line lists are presented for the two most abundant water isotopologues; H$_{2}$$^{16}$O and H$_{2}$$^{18}$O. The H$_{2}$$^{16}$O line list extends to 25710 cm$^{-1}$ with intensity stabilities provided via ratios of calculated intensities obtained from two different semi-empirical potential energy surfaces. The line list for H$_{2}$$^{18}$O extends to 20000 cm$^{-1}$. The minimum intensity considered for all is $10^{-30}$ cm molecule$^{-1}$ at 296~K, assuming 100% abundance for each isotopologue. Fluctuation of calculated intensities caused by changes in the underlying potential energy are found to be significant, particularly for weak transitions. Direct comparisons are made against eighteen different sources of line intensities, both experimental and theoretical, many of which are used within the HITRAN2016 database. With some exceptions, there is excellent agreement between our line lists and the experimental intensities in HITRAN2016. In the infrared region, many H$_{2}$$^{16}$O bands which exhibit intensity differences of 5-10% between to the most recent POKAZATEL line list (Polyansky textit{et al.}, [Mon. Not. Roy. Astron. Soc. textbf{480}, 2597 (2018)] and observation, are now generally predicted to within 1%. For H$_{2}$$^{18}$O, there are systematic differences in the strongest intensities calculated in this work versus those obtained from semi-empirical calculations. In the visible, computed cross sections show smaller residuals between our work and both HITRAN2016 and HITEMP2010 than POKAZATEL. While our line list accurately reproduces HITEMP2010 cross sections in the observed region, residuals produced from this comparison do however highlight the need to update line positions in the visible spectrum of HITEMP2010. These line lists will be used to update many transition intensities and line positions in the HITRAN2016 database.
Variations of critical temperature $T_c$ and in-plane critical field $H_{c2}$ of $text{Sr}_2text{Ru}text{O}_4$ under uniaxial stress have recently been reported. We compare the strain dependence of $T_c$ and $H_{c2}$ in various pairing channels ($d$-wave, extended s-wave and $p$-wave) with the experimental observations, by studying a three-band tight-binding model that includes effects of spin-orbit and Zeeman couplings and a separable pairing interaction. Our study helps narrow down the possibility of pairing channels. The importance of the multi-band nature of $text{Sr}_2text{Ru}text{O}_4$ is also highlighted.
Temperature-dependent London penetration depth, $lambda(T)$, of a high quality optimally-doped $text{YBa}_{2}text{Cu}_{3}text{O}_{7-delta}$ single crystal was measured using tunnel-diode-resonator technique. Controlled artificial disorder was induced by low-temperature (20~K) irradiation by 2.5 MeV electrons at two large doses of $3.8times10^{19}$and $5.3times10^{19}$ electrons per $textrm{cm}^{2}$. The irradiation caused significant suppression of the superconductors critical temperature, $T_{c}$, from 94.6 K to 90.0 K, and to 78.7 K, respectively. The low-temperature behavior of $lambdaleft(Tright)$ evolves from a $T-$ linear in pristine state to a $T^{2}-$ behavior after irradiation, expected for a line-nodal $d-$wave superconductor. However, the original theory that explained such behavior assumed a unitary limit of the scattering potential, whereas usually in normal metals and semiconductors, Born scattering is sufficient to describe the experiment. To estimate the scattering potential strength, we calculated the superfluid density, $rho_{s}=lambda^{2}left(0right)/lambda^{2}left(Tright)$, varying the amount and strength of non-magnetic scattering using a self-consistent $t-$matrix theory. Comparing experimental and theoretical coefficients $A$ and $B$ of the low-temperature power series, $rho_{s}approx1-At-Bt^{2}$, we determine the amplitude of the scattering phase shift to be around 65$^{o}$. Knowing this value is important for further theoretical analysis of the microscopic mechanisms of superconductivity in $text{YBa}_{2}text{Cu}_{3}text{O}_{7-delta}$ high$-T_{c}$ superconductor.
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