Orbital ordering in La0.5_{0.5}Sr1.5_{1.5}MnO4_4 studied by model Hartree-Fock calculation

We have investigated orbital ordering in the half-doped manganite La$_{0.5}$Sr$_{1.5}$MnO$_4$, which displays spin, charge and orbital ordering, by means of unrestricted Hartree-Fock calculations on the multiband $p$-$d$ model. From recent experiment, it has become clear that La$_{0.5}$Sr$_{1.5}$MnO$_4$ exhibits a cross-type $(z^2-x^2/y^2-z^2)$ orbital ordering rather than the widely believed rod-type $(3x^2-r^2/3y^2-r^2)$ orbital ordering. The calculation reveals that cross-type $(z^2-x^2/y^2-z^2)$ orbital ordering results from an effect of in-plane distortion as well as from the relatively long out-of-plane Mn-O distance. For the "Mn$^{4+}$" site, it is shown that the elongation along the c-axis of the MnO$_6$ octahedra leads to an anisotropic charge distribution rather than the isotropic one.Comment: 4 pages, 5 figure

Temperature-dependent photoemission spectral weight transfer and chemical potential shift in Pr1−x_{1-x}Cax_xMnO3_3 : Implications for charge density modulation

We have studied the temperature dependence of the photoemission spectra of Pr$_{1-x}$Ca$_x$MnO$_3$ (PCMO) with $x=0.25$, 0.3 and 0.5. For $x=0.3$ and 0.5, we observed a gap in the low-temperature CE-type charge-ordered (CO) phase and a pseudogap with a finite intensity at the Fermi level ($E_F$) in the high-temperature paramagnetic insulating (PI) phase. Within the CO phase, the spectral intensity near $E_F$ gradually increased with temperature. These observations are consistent with the results of Monte Carlo simulations on a model including charge ordering and ferromagnetic fluctuations [H. Aliaga {\it et al.} Phys. Rev. B {\bf 68}, 104405 (2003)]. For $x=0.25$, on the other hand, little temperature dependence was observed within the low-temperature ferromagnetic insulating (FI) phase and the intensity at $E_F$ remained low in the high-temperature PI phase. We attribute the difference in the temperature dependence near $E_F$ between the CO and FI phases to the different correlation lengths of orbital order between both phases. Furthermore, we observed a chemical potential shift with temperature due to the opening of the gap in the FI and CO phases. The doping dependent chemical potential shift was recovered at low temperatures, corresponding to the disappearance of the doping dependent change of the modulation wave vector. Spectral weight transfer with hole concentration was clearly observed at high temperatures but was suppressed at low temperatures. We attribute this observation to the fixed periodicity with hole doping in PCMO at low temperatures.Comment: 5pages, 7figure

Chemical potential shift induced by double-exchange and polaronic effects in Nd_{1-x}Sr_xMnO_3

We have studied the chemical potential shift as a function of temperature in Nd$_{1-x}$Sr$_x$MnO$_3$ (NSMO) by measurements of core-level photoemission spectra. For ferromagnetic samples ($x=0.4$ and 0.45), we observed an unusually large upward chemical potential shift with decreasing temperature in the low-temperature region of the ferromagnetic metallic (FM) phase. This can be explained by the double-exchange (DE) mechanism if the $e_g$ band is split by dynamical/local Jahn-Teller effect. The shift was suppressed near the Curie temperature ($T_C$), which we attribute to the crossover from the DE to lattice-polaron regimes.Comment: 5 pages, 6 figure

Chemical potential shift and spectral weight transfer in Pr1−x_{1-x}Cax_xMnO3_3 revealed by photoemission spectroscopy

We have studied the chemical potential shift and changes in the electronic density of states near the Fermi level ($E_F$) as a function of carrier concentration in Pr$_{1-x}$Ca$_x$MnO$_3$ (PCMO, $0.2 \le x \le 0.65$) through the measurements of photoemission spectra. The results showed that the chemical potential shift was suppressed for x \agt 0.3, where the charge exchange (CE)-type antiferromagnetic charge-ordered state appears at low temperatures. We consider this observation to be related to charge self-organization such as stripe formation on a microscopic scale in this composition range. Together with the previous observation of monotonous chemical potential shift in La$_{1-x}$Sr$_x$MnO$_3$, we conclude that the tendency toward the charge self-organization increases with decreasing bandwidth. In the valence band, spectral weight of the Mn 3$d$ $e_g$ electrons in PCMO was transferred from $\sim$ 1 eV below $E_F$ to the region near $E_F$ with hole doping, leading to a finite intensity at $E_F$ even in the paramagnetic insulating phase for x \agt 0.3, probably related with the tendency toward charge self-organization. The finite intensity at $E_F$ in spite of the insulating transport behavior is consistent with fluctuations involving ferromagnetic metallic states.Comment: 6 pages, 5 figure

Depth profile photoemission study of thermally diffused Mn/GaAs (001) interfaces

We have performed a depth profile study of thermally diffused Mn/GaAs (001) interfaces using photoemission spectroscopy combined with Ar$^+$-ion sputtering. We found that Mn ion was thermally diffused into the deep region of the GaAs substrate and completely reacted with GaAs. In the deep region, the Mn 2$p$ core-level and Mn 3$d$ valence-band spectra of the Mn/GaAs (001) sample heated to 600 $^{\circ}$C were similar to those of Ga$_{1-x}$Mn$_x$As, zinc-blende-type MnAs dots, and/or interstitial Mn in tetrahedrally coordinated by As atoms, suggesting that the Mn 3$d$ states were essentially localized but were hybridized with the electronic states of the host GaAs. Ferromagnetism was observed in the dilute Mn phase.Comment: 5 pages, 4 figure

Chemical potential landscape in band filling and bandwidth-control of manganites: Photoemission spectroscopy measurements

We have studied the effects of band filling and bandwidth control on the chemical potential in perovskite manganites $R_{1-x}A_x$MnO$_3$ ($R$ : rare earth, $A$ : alkaline earth) by measurements of core-level photoemission spectra. A suppression of the doping-dependent chemical potential shift was observed in and around the CE-type charge-ordered composition range, indicating that there is charge self-organization such as stripe formation or its fluctuations. As a function of bandwidth, we observed a downward chemical potential shift with increasing bandwidth due to the reduction of the orthorhombic distortion. After subtracting the latter contribution, we found an upward chemical potential shift in the ferromagnetic metallic region $0.3<x<0.5$, which we attribute to the enhancement of double-exchange interaction involving the Jahn-Teller-split $e_g$ band.Comment: 5 pages, 4 figure

Theoretical demonstration of highly efficient cw THz generation by using composite photonic-structure elements

We theoretically propose one-dimensional composite photonic structures for high-resolution THz spectroanalysis. We compare the performance of two GaAs/AlAs composite photonic-structure devices, one with usual 1/4-wavelength layers of distributed Bragg reflectors (DBRs), and the other with the designed DBRs. The device with designed DBRs shows the optical-to-terahertz conversion efficiency up to 10^-5 and wide frequency tunability ranging from sub-THz to 3 THz. We found that the composite photonic structure allows us to control photonic modes with a high degree of freedom by flexible structure designs. This device achieve a cw THz source with a highly narrow bandwidth operating at room temperature

A case of distal extrahepatic cholangiocarcinoma with two positive resection margins

Cholangiocarcinoma is an uncommon primary malignancy of the biliary tract that is challenging to diagnose and treat effectively due to its relatively silent and late clinical presentation. The present study reports a case of a 60-year-old male with distal extrahepatic cholangiocarcinoma with a 3-week history of painless obstructive jaundice symptoms and subjective weight loss. Imaging revealed an obstructing lesion in the common bile duct, just distal to the entrance of the cystic duct. Pathology revealed moderately differentiated cholangiocarcinoma with two positive proximal resection margins. The two positive resection margins presented a challenge during surgery and points to an urgent need for further studies to better illuminate diagnostic and therapeutic options for patients with similar clinicopathological presentation

To Push or To Pull? In a Post-COVID World, Supporting and Incentivizing Antimicrobial Drug Development Must Become a Governmental Priority

This is the final version. Available on open access from the American Chemical Society via the DOI in this recorddata availability: This study did not generate any new data. The data on COVID-19 deaths used in the publication are publicly available at https://www.worldometers.info/coronavirus/ (access date 15th December 2020).The COVID-19 pandemic has refocused attention worldwide on the dangers of infectious diseases, in terms of both global health and the effects on the world economy. Even in high income countries, health systems have been found wanting in dealing with the new infectious agent. However, the even greater long-term danger of antimicrobial resistance in pathogenic bacteria and fungi is still under-appreciated, especially among the general public. Although antimicrobial drug development faces significant scientific challenges, the gravest challenge at the moment appears to be economic, where the lack of a viable market has led to a collapse in drug development pipelines. There is therefore a critical need for governments across the world to further incentivize the development of antimicrobials. Most incentive strategies over the past decade have focused on so-called “push” incentives that bridge the costs of antimicrobial research and development, but these have been insufficient for reviving the pipeline. In this Perspective, we analyze the current incentive strategies in place for antimicrobial drug development, and focus on “pull” incentives, which instead aim to improve revenue generation and thereby resolve the antimicrobial market failure challenge. We further analyze these incentives in a broader “One Health” context and stress the importance of developing and enforcing strict protocols to ensure appropriate manufacturing practices and responsible use. Our analysis reiterates the importance of international cooperation, coordination across antimicrobial research, and sustained funding in tackling this significant global challenge. A failure to invest wisely and continuously to incentivize antimicrobial pipelines will have catastrophic consequences for global health and wellbeing in the years to come.Wellcome TrustGCRF One Health Poultry HubMedical Research Council (MRC

Linear Responses in Time-dependent Hartree-Fock-Bogoliubov Method with Gogny Interaction

A numerical method to integrate the time-dependent Hartree-Fock Bogoliubov (TDHFB) equations with Gogny interaction is proposed. The feasibility of the TDHFB code is illustrated by the conservation of the energy, particle numbers, and center-of-mass in the small amplitude vibrations of oxygen 20. The TDHFB code is applied to the isoscalar quadrupole and/or isovector dipole vibrations in the linear (small amplitude) region in oxygen isotopes (masses A = 18,20,22 and 24), titanium isotopes (A = 44,50,52 and 54), neon isotope (A = 26), and magnesium isotopes (A = 24 and 34). The isoscalar quadrupole and isovector dipole strength functions are calculated from the expectation values of the isoscalar quadrupole and isovector dipole moments.Comment: 10 pages, 13 figure