Carrier doping of Bi2_2Se3_3 surface by chemical adsorption -- a DFT study

Bi$_2$Se$_3$ is one of the most promising topological insulators, but it suffers from intrinsic n-doping due to Se-vacancies, which shifts the Fermi level into the bulk conduction band, leading to topologically trivial carriers. Recently it was shown that this Fermi-level shift can be compensated by a locally controlled surface p-doping process, through water adsorption and XUV irradiation. Here, the microscopic mechanism of this surface doping is studied by means of density functional theory (DFT) focusing on the adsorption of H$_2$O, OH, O, C and CH on Bi$_2$Se$_3$. We find that water adsorption has a negligible doping effect while hydroxyl groups lead to n-doping. Carbon adsorption on Se vacancies gives rise to p-doping but it also strongly modifies the electronic band structure around the Dirac point. Only if the Se vacancies are filled with atomic oxygen, the experimentally observed p-doping without change of the topological surface bands is reproduced. Based on the DFT results, we propose a reaction path where photon absorption gives rise to water splitting and the produced O atoms fill the Se vacancies. Adsorbed OH groups appear as intermediate states and carbon impurities may have a catalytic effect in agreement with experimental observations

Charge-density-wave superconductor Bi2Rh3Se2

We discovered a superconducting transition with the charge-density-wave state in a ternary compound Bi2Rh3Se2. This compound crystallizes in the parkerite-type structure composed of sheets containing one-dimensional Rh-Rh chains. The electrical resistivity, magnetic susceptibility, thermoelectric power, sample length change, and x-ray diffraction measurements reveal that this compound is in the CDW state below 240 K. Furthermore, the specific heat and electrical resistivity measurements show a superconducting transition at ~0.7 K. The various superconducting parameters were determined, and the GL parameter (0) shows the considerably large value of 151 indicating an extreme type-II superconductor

Transport properties in normal metal Bi2Pd3S2 and superconducting Bi2Pd3Se2

The transport properties of the parkerite-related compounds Bi2Pd3X2 (X=S,Se) were studied. The electrical resistivities of both compounds show typical metallic behavior up to 400 K. Resistivity and specific heat measurements at low temperatures reveal that Bi2Pd3Se2 is superconducting below 1 K. On the other hand, Bi2Pd3S2 does not show a bulk superconducting transition down to 0.35 K. In the normal state, the electronic specific heat coefficient γ and the Debye temperature θD are found to be 5.9 mJ/mol K2 and 170 K, respectively for Bi2Pd3S2, and 8.3 mJ/mol K2 and 150 K, respectively for Bi2Pd3Se2. In the superconducting state for Bi2Pd3Se2, the upper critical field at zero temperature for Bi2Pd3Se2 is 290 mT. From the electronic specific heat in the superconducting temperature range, it was found that Bi2Pd3Se2 belongs to an s-wave weakcoupling superconductor

Corticospinal excitability modulation in resting digit muscles during cyclical movement of the digits of the ipsilateral limb

We investigated how corticospinal excitability of the resting digit muscles was modulated by the digit movement in the ipsilateral limb. Subjects performed cyclical extension-flexion movements of either the right toes or fingers. To determine whether corticospinal excitability of the resting digit muscles was modulated on the basis of movement direction or action coupling between ipsilateral digits, the right forearm was maintained in either the pronated or supinated position. During the movement, the motor evoked potential (MEP) elicited by transcranial magnetic stimulation was measured from either the resting right finger extensor and flexor, or toe extensor and flexor. For both finger and toe muscles, independent of forearm position, MEP amplitude of the flexor was greater during ipsilateral digit flexion as compared to extension, and MEP amplitude of the extensor was greater during ipsilateral digit extension as compared to flexion. An exception was that MEP amplitude of the toe flexor with the supinated forearm did not differ between during finger extension and flexion. These findings suggest that digit movement modulates corticospinal excitability of the digits of the ipsilateral limb such that the same action is preferred. Our results provide evidence for a better understanding of neural interactions between ipsilateral limbs, and may thus contribute to neurorehabilitation after a stroke or incomplete spinal cord injury

Modulation of Corticospinal Excitability during Acquisition of Action Sequences by Observation

Excitability of the corticospinal pathway increases during observation of an action. However, how corticospinal excitability changes during observation of sequential actions in the course of acquiring novel skills (observational learning) remains unexplored. To investigate this, we used a previously unpracticed sequence of ten hand postures. Participants were asked to repeat observation and replication of the sequence. This block of observation and replication was repeated 5 times. During observation of a given hand posture (OK sign), motor-evoked potentials (MEPs) elicited by transcranial magnetic stimulation were recorded from hand muscles. In experiment 1, the OK sign appeared in the 9th position of the sequence. Almost all participants could replicate the OK sign only at the 5th block of the experiment. MEP amplitude was greater than that in the control, and decreased with the stages. This suggested that during observational learning of sequential hand postures MEP changed with the progress of the learning. To evaluate this idea, we performed two additional experiments. In experiment 2, the OK sign appeared in the 2nd position. Almost all participants replicated the OK sign even in the 1st block. The MEP amplitude did not change across stages. In experiment 3, the OK sign appeared in the 9th position, but the order of other signs was randomized in every stage. Many participants were not able to replicate the OK sign even during the 5th block of the experiment. The MEP amplitude did not change across stages. These results suggest that: (1) During observational learning modulation of corticospinal excitability is associated with the learning process. (2) Corticospinal excitability decreases as learning progresses

Atomistic simulation of oxide materials with catalytic properties

When supported, thin films demonstrate remarkable structural transformations, with important implications for catalysis, sensors, electrochemistry, semiconductors or superconductors. At present, the tools available to characterize solid-solid systems cannot provide atomic level resolution of, for example mixed screw-edge dislocations. Therefore atomistic simulation can provide an invaluable complement to experiment. In this work atomistic simulation was employed to generate models of oxide thin films. First an atom deposition methodology was used to create an SrO thin film on a BaO(001) support. The evolution of the thin film from small clusters (submonolayer coverage), to five atomic layers, which includes cracks in its structure, was studied. Specifically, information related to growth and nucleation processes can be explored using this methodology. Secondly an amorphisation and recrystallisation methodology was developed to explore the more complex system, that of ceria deposited on zirconia and yttrium stabilized zirconia. Simulated amorphisation and recrystallisation involves forcing the thin film to undergo a transformation into an amorphous state prior to recrystallising and therefore the recrystallisation process rather than the (perhaps artificial) initial structure will dictate the final structure. The recrystallisation process enables the evolution of all the important structural modifications as the thin film evolves structurally in response to the support. These include dislocations (pure edge and mixed screw-edge), dislocation networks, grain-boundaries and defects (interstitials, vacancies and substitutionals, including complex defect association) all within a single simulation cell.EThOS - Electronic Theses Online ServiceGBUnited Kingdo

新規１型リゾホスファチジン酸受容体（LPA1 receptor）拮抗薬ASP6432の下部尿路機能に関する薬理学的研究

筑波大学 (University of Tsukuba)201

新規１型リゾホスファチジン酸受容体（LPA1 receptor）拮抗薬ASP6432の下部尿路機能に関する薬理学的研究

筑波大学 (University of Tsukuba)201