Silicon-nitride-based entrance slit design for the high-power-density monochromator in TPS 45A.

Details of the design and operational status of the silicon-nitride-based entrance slit installed in the Taiwan Photon Source (TPS) 45A beamline are given. The slit is a diamond blade edge etched onto a copper slit part, which is in thermal contact with the silicon nitride base. A stable slit opening smaller than 4 µm is achieved in TPS 45A. The beam size at the slit has a full width at half-maximum of 3 µm in the vertical direction with a power of 20 W. Additionally, a hard stop made of invar is incorporated to control the thermal expansion displacement. The slit reduces the size and increases the stability of the source of the monochromator. Consequently, a higher energy resolution and excellent beamline stability are achieved.

Photonic-Crafting of Non-Volatile and Rewritable Antiferromagnetic Spin Textures with Drastic Difference in Electrical Conductivity.

Antiferromagnetic spintronics is an emerging field of non-volatile data storage and information processing. The zero net magnetization and zero stray fields of antiferromagnetic materials eliminate interference between neighbor units, leading to high-density memory integrations. However, this invisible magnetic character at the same time also poses a great challenge in controlling and detecting magnetic states in antiferromagnets. Here, two antiferromagnetic spin states close in energy in strained BiFeO3 thin films at room temperature are discovered. It can be reversibly switched between these two non-volatile antiferromagnetic states by a moderate magnetic field and a non-contact optical approach. Importantly, the conductivity of the areas with each antiferromagnetic textures is drastically different. It is conclusively demonstrated the capability of optical writing and electrical reading of these newly discovered bistable antiferromagnetic states in the BiFeO3 thin films.

Correlation among photoluminescence and the electronic and atomic structures of Sr2SiO4:xEu3+ phosphors: X-ray absorption and emission studies.

A series of Eu3+-activated strontium silicate phosphors, Sr2SiO4:xEu3+ (SSO:xEu3+, x = 1.0, 2.0 and 5.0%), were synthesized by a sol-gel method, and their crystalline structures, photoluminescence (PL) behaviors, electronic/atomic structures and bandgap properties were studied. The correlation among these characteristics was further established. X-ray powder diffraction analysis revealed the formation of mixed orthorhombic α'-SSO and monoclinic ß-SSO phases of the SSO:xEu3+ phosphors. When SSO:xEu3+ phosphors are excited under ultraviolet (UV) light (λ = 250 nm, ~ 4.96 eV), they emit yellow (~ 590 nm), orange (~ 613 nm) and red (~ 652 and 703 nm) PL bands. These PL emissions typically correspond to 4f-4f electronic transitions that involve the multiple excited 5D0 → 7FJ levels (J = 1, 2, 3 and 4) of Eu3+ activators in the host matrix. This mechanism of PL in the SSO:xEu3+ phosphors is strongly related to the local electronic/atomic structures of the Eu3+-O2- associations and the bandgap of the host lattice, as verified by Sr K-edge and Eu L3-edge X-ray absorption near-edge structure (XANES)/extended X-ray absorption fine structure, O K-edge XANES and Kα X-ray emission spectroscopy. In the synthesis of SSO:xEu3+ phosphors, interstitial Eu2O3-like structures are observed in the host matrix that act as donors, providing electrons that are nonradiatively transferred from the Eu 5d and/or O 2p-Eu 4f/5d states (mostly the O 2p-Eu 5d states) to the 5D0 levels, facilitating the recombination of electrons that have transitioned from the 5D0 level to the 7FJ level in the bandgap. This mechanism is primarily responsible for the enhancement of PL emissions in the SSO:xEu3+ phosphors. This PL-related behavior indicates that SSO:xEu3+ phosphors are good light-conversion phosphor candidates for use in near-UV chips and can be very effective in UV-based light-emitting diodes.

Development of a long trace profiler in situ at National Synchrotron Radiation Research Center.

To achieve an ultrahigh resolution of a beamline for soft X-rays at the Taiwan Photon Source (TPS), the profile of a highly precise grating is required at various curvatures. The slope error could be decreased to 0.1 µrad (rms) at a thermal load with a specially designed bender having 25 actuators. In the meantime, a long-trace profiler (LTP) was developed in situ to monitor the grating profile under a thermal load; it consists of a moving optical head, an air-bearing slide, an adjustable stand, and a glass viewport on the vacuum chamber. In the design of this system, a test chamber with an interior mirror was designed to simulate the chamber in the beamline. To prevent an error induced from a commercial viewport, a precision glass viewport (150CF, flatness 1/150 λ rms at 632.8 nm) was designed. The error induced from the slope error of the glass surface and the vacuum deformation was also simulated. The performance of the optical head of the LTP in situ (ISLTP) has been tested in the metrology laboratory. The sources of error of this LTP including the linearity and the glass viewport were corrected after the measurement. For the beamline measurement, an optical head was mounted outside the vacuum chamber; the measuring beam passed through the glass viewport to measure the grating profile in vacuum. The measurement of the LTP after correction of the above errors yielded a precision about 0.2 µrad (rms). In a preliminary test, an ISLTP was used to measure the grating profile at soft X-ray beamline TPS45A. The measured profile was for the bending mechanism to optimize the slope profile. From the measured energy spectrum, the slope error of the grating was estimated with software for optical simulation to be about 0.3 µrad (rms), consistent with our estimate of the ISLTP. In the future, it will be used to monitor the thermal bump under a large thermal load. In addition, an ISLTP was used to monitor the properties of optical elements-the twist and radius in the beamline during the installation phase.

Density functional theory calculations of dense TiO2 polymorphs: implication for visible-light-responsive photocatalysts.

Structural parameters and electronic band gaps of dense TiO(2) polymorphs, i.e., alpha-PbO(2), baddeleyite, fluorite, and cotunnite types of structures, were calculated using a first-principles density functional method with local-density approximation. The ambient phases, i.e., rutile and anatase, with known theoretical and experimental data were used to ensure the validity of the calculations. The fluorite-type TiO(2) turned out to have the narrowest band gap, 1.08 or 2.18 eV after applying a very approximate band gap correction, due to highly symmetrical TiO(8) polyhedra with Ti(3d) and O(2p) orbitals in the most mixed state. Ti with eight coordinated oxygens, as feasible under high pressure or residual stress, may have potential applications as a visible-light-responsive photocatalyst.

A computer simulation study of water drying at the interface of protein chains.

This study investigated the water drying (cavitation) in the interfacial region of two chains of a dimeric protein by nanosecond molecular dynamics simulations using explicit water representation. Separation-induced cavity of water was directly observed in the region. We evaluated the separation length scale of two chains on which the drying transition occurs, and the average number of water molecules that are expelled from the interfacial region during the transition. The obtained values can be rationalized by Kelvin equation for finite lateral size of confinement [K. Lum and A. Luzar, Phys. Rev. E 56, R6283 (1997)]. Also, we found that the drying transition is accompanied by an exponential reduction in the average hydrogen-bond number per interfacial water molecule. The results of this study may deepen the understanding of how hydrophobic interaction drives the assembly of protein chains.

Computer simulation of long side-chain substituted poly(phenylene vinylene) polymers.

A molecular dynamics (MD) simulation was employed to investigate structure features and segment orientation of four poly (phenylene vinylene) (PPV) derivatives with long, flexible side chains at room temperature. In the simulations, the main chains of the polymers were found to be semirigid and exhibit a tendency to coil into ellipsoidal helices or form zigzag conformations of limited regularity. The simulations show that continuous quasi-coplanar segments along the backbone are in a range of approximately 2-4 repeat units. The ordered orientation and coupling distance of interchain aromatic rings can be correlated with optical properties of materials. A simplified quantum-mechanical method was developed to investigate optical properties based on MD trajectories. The method was tested to simulate the absorption spectra of four PPV derivatives. The absorption maxima of the calculated spectra are in reasonable agreement with experimental data. This work implies that long-range electron transfer along the backbones of these polymers may not occur, but may be mediated by interchain interactions.