15 research outputs found

    Polaron physics and crossover transition in magnetite probed by pressure-dependent infrared spectroscopy

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    The optical properties of magnetite at room temperature were studied by infrared reflectivity measurements as a function of pressure up to 8 GPa. The optical conductivity spectrum consists of a Drude term, two sharp phonon modes, a far-infrared band at around 600 cm−1^{-1}, and a pronounced mid-infrared absorption band. With increasing pressure both absorption bands shift to lower frequencies and the phonon modes harden in a linear fashion. Based on the shape of the MIR band, the temperature dependence of the dc transport data, and the occurrence of the far-infrared band in the optical conductivity spectrum the polaronic coupling strength in magnetite at room temperature should be classified as intermediate. For the lower-energy phonon mode an abrupt increase of the linear pressure coefficient occurs at around 6 GPa, which could be attributed to minor alterations of the charge distribution among the different Fe sites.Comment: 7 pages, 7 figure

    Complex-Orbital Order in Fe_3O_4 and Mechanism of the Verwey Transition

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    Electronic state and the Verwey transition in magnetite (Fe_3O_4) are studied using a spinless three-band Hubbard model for 3d electrons on the B sites with the Hartree-Fock approximation and the exact diagonalisation method. Complex-orbital, e.g., 1/sqrt(2)[|zx> + i |yz>], ordered (COO) states having noncollinear orbital moments ~ 0.4 mu_B on the B sites are obtained with the cubic lattice structure of the high-temperature phase. The COO state is a novel form of magnetic ordering within the orbital degree of freedom. It arises from the formation of Hund's second rule states of spinless pseudo-d molecular orbitals in the Fe_4 tetrahedral units of the B sites and ferromagnetic alignment of their fictitious orbital moments. A COO state with longer periodicity is obtained with pseudo-orthorhombic Pmca and Pmc2_1 structures for the low-temperature phase. The state spontaneously lowers the crystal symmetry to the monoclinic and explains experimentally observed rhombohedral cell deformation and Jahn-Teller like distortion. From these findings, we consider that at the Verwey transition temperature, the COO state remaining to be short-range order impeded by dynamical lattice distortion in high temperature is developed into that with long-range order coupled with the monoclinic lattice distortion.Comment: 16 pages, 13 figures, 6 tables, accepted for publication in J. Phys. Soc. Jp

    Bedaquiline and Pyrazinamide Treatment Responses Are Affected by Pulmonary Lesion Heterogeneity in <i>Mycobacterium tuberculosis</i> Infected C3HeB/FeJ Mice

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    BALB/c and Swiss mice are routinely used to validate the effectiveness of tuberculosis drug regimens, although these mouse strains fail to develop human-like pulmonary granulomas exhibiting caseous necrosis. Microenvironmental conditions within human granulomas may negatively impact drug efficacy, and this may not be reflected in non-necrotizing lesions found within conventional mouse models. The C3HeB/FeJ mouse model has been increasingly utilized as it develops hypoxic, caseous necrotic granulomas which may more closely mimic the pathophysiological conditions found within human pulmonary granulomas. Here, we examined the treatment response of BALB/c and C3HeB/FeJ mice to bedaquiline (BDQ) and pyrazinamide (PZA) administered singly and in combination. BALB/c mice consistently displayed a highly uniform treatment response to both drugs, while C3HeB/FeJ mice displayed a bimodal response composed of responsive and less-responsive mice. Plasma pharmacokinetic analysis of dissected lesions from BALB/c and C3HeB/FeJ mice revealed that PZA penetrated lesion types from both mouse strains with similar efficiency. However, the pH of the necrotic caseum of C3HeB/FeJ granulomas was determined to be 7.5, which is in the range where PZA is essentially ineffective under standard laboratory in vitro growth conditions. BDQ preferentially accumulated within the highly cellular regions in the lungs of both mouse strains, although it was present at reduced but still biologically relevant concentrations within the central caseum when dosed at 25 mg/kg. The differential treatment response which resulted from the heterogeneous pulmonary pathology in the C3HeB/FeJ mouse model revealed several factors which may impact treatment efficacy, and could be further evaluated in clinical trials
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