259 research outputs found

    Two-particle propagator and magnetic susceptibility in the Hubbard model- An improved treatment

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    We treat the two-particle Green's function in the Hubbard model using the recently developed tau-CPA, a hybrid treatment that applies the coherent-potential approximation (CPA) up to a time tau related to the inverse of the band width, after which the system is averaged using the virtual-crystal approximation (VCA). This model, with suitable approximations, does predict magnetism for a modified Stoner criterion. The evaluation of the two-particle propagator in the tau-CPA requires the solution of the pure CPA, within whose formalism the vertex correction and the weighted Green's functions are obtained. The dynamical susceptibility, including the vertex correction and the weighted scattering by the residual interaction, is calculated and shows a spin wave spectrum in the ferromagnetic regime

    Systematic computation of crystal field multiplets for X-ray core spectroscopies

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    We present a new approach to computing multiplets for core spectroscopies, whereby the crystal field is constructed explicitly from the positions and charges of surrounding atoms. The simplicity of the input allows the consideration of crystal fields of any symmetry, and in particular facilitates the study of spectroscopic effects arising from low symmetry environments. The interplay between polarization directions and crystal field can also be conveniently investigated. The determination of the multiplets proceeds from a Dirac density functional atomic calculation, followed by the exact diagonalization of the Coulomb, spin-orbit and crystal field interactions for the electrons in the open shells. The eigenstates are then used to simulate X-ray Absorption Spectroscopy and Resonant Inelastic X-ray Scattering spectra. In examples ranging from high symmetry down to low symmetry environment, comparisons with experiments are done with unadjusted model parameters as well as with semi-empirically optimized ones. Furthermore, predictions for the RIXS of low-temperature MnO and for Dy in a molecular complex are proposed.Comment: Accepted for publication in Phys. Rev.

    Evidence for SrHo2O4 and SrDy2O4 as model J1-J2 zig-zag chain materials

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    Neutron diffraction and inelastic spectroscopy is used to characterize the magnetic Hamiltonian of SrHo2O4 and SrDy2O4. Through a detailed computation of the crystal-field levels we find site- dependent anisotropic single-ion magnetism in both materials and diffraction measurements show the presence of strong one-dimensional spin correlations. Our measurements indicate that competing interactions of the zig-zag chain, combined with frustrated interchain interactions, play a crucial role in stabilizing spin-liquid type correlations in this series.Comment: 5 pages, 5 figure

    Doping Dependence of Collective Spin and Orbital Excitations in Spin 1 Quantum Antiferromagnet La2x_{2-x}Srx_xNiO4_4 Observed by X-rays

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    We report the first empirical demonstration that resonant inelastic x-ray scattering (RIXS) is sensitive to \emph{collective} magnetic excitations in S=1S=1 systems by probing the Ni L3L_3-edge of La2x_{2-x}Srx_xNiO4_4 (x=0,0.33,0.45x = 0, 0.33, 0.45). The magnetic excitation peak is asymmetric, indicating the presence of single and multi spin-flip excitations. As the hole doping level is increased, the zone boundary magnon energy is suppressed at a much larger rate than that in hole doped cuprates. Based on the analysis of the orbital and charge excitations observed by RIXS, we argue that this difference is related to the orbital character of the doped holes in these two families. This work establishes RIXS as a probe of fundamental magnetic interactions in nickelates opening the way towards studies of heterostructures and ultra-fast pump-probe experiments.Comment: 8 pages, 4 figures, see ancillary files for the supplemental materia

    Association between CT-Based Preoperative Sarcopenia and Outcomes in Patients That Underwent Liver Resections.

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    This retrospective observational study aimed to evaluate whether preoperative sarcopenia, assessed by CT imaging, was associated with postoperative clinical outcomes and overall survival in patients that underwent liver resections. Patients operated on between January 2014 and February 2020 were included. The skeletal muscle index (SMI) was measured at the level of the third lumbar vertebra on preoperative CT scans. Preoperative sarcopenia was defined based on pre-established SMI cut-off values. The outcomes were postoperative morbidity, length of hospital stay (LOS), and overall survival. Among 355 patients, 212 (59.7%) had preoperative sarcopenia. Patients with sarcopenia were significantly older (63.5 years) and had significantly lower BMIs (23.9 kg/m <sup>2</sup> ) than patients without sarcopenia (59.3 years, p < 0.01, and 27.7 kg/m <sup>2</sup> , p < 0.01, respectively). There was no difference in LOS (8 vs. 8 days, p = 0.75), and the major complication rates were comparable between the two groups (11.2% vs. 11.3%, p = 1.00). The median overall survival times were comparable between patients with sarcopenia and those without sarcopenia (15 vs. 16 months, p = 0.87). Based on CT assessment alone, preoperative sarcopenia appeared to have no impact on postoperative clinical outcomes or overall survival in patients that underwent liver resections. Future efforts should also consider muscle strength and physical performance, in addition to imaging, for preoperative risk stratification

    Acidic tumor microenvironment abrogates the efficacy of mTORC1 inhibitors.

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    Blocking the mechanistic target of rapamycin complex-1 (mTORC1) with chemical inhibitors such as rapamycin has shown limited clinical efficacy in cancer. The tumor microenvironment is characterized by an acidic pH which interferes with cancer therapies. The consequences of acidity on the anti-cancer efficacy of mTORC1 inhibitors have not been characterized and are thus the focus of our study. Cancer cell lines were treated with rapamycin in acidic or physiological conditions and cell proliferation was investigated. The effect of acidity on mTORC1 activity was determined by Western blot. The anticancer efficacy of rapamycin in combination with sodium bicarbonate to increase the intratumoral pH was tested in two different mouse models and compared to rapamycin treatment alone. Histological analysis was performed on tumor samples to evaluate proliferation, apoptosis and necrosis. Exposing cancer cells to acidic pH in vitro significantly reduced the anti-proliferative effect of rapamycin. At the molecular level, acidity significantly decreased mTORC1 activity, suggesting that cancer cell proliferation is independent of mTORC1 in acidic conditions. In contrast, the activation of mitogen-activated protein kinase (MAPK) or AKT were not affected by acidity, and blocking MAPK or AKT with a chemical inhibitor maintained an anti-proliferative effect at low pH. In tumor mouse models, the use of sodium bicarbonate increased mTORC1 activity in cancer cells and potentiated the anti-cancer efficacy of rapamycin. Combining sodium bicarbonate with rapamycin resulted in increased tumor necrosis, increased cancer cell apoptosis and decreased cancer cell proliferation as compared to single treatment. Taken together, these results emphasize the inefficacy of mTORC1 inhibitors in acidic conditions. They further highlight the potential of combining sodium bicarbonate with mTORC1 inhibitors to improve their anti-tumoral efficacy
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