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abstracts
This study reports determination of the atomic coordinates of a two-dimensional atomic sheet, silicene, by using total reflection high-energy positron diffraction (TRHEPD) [1]. TRHEPD method, formerly called as RHEPD, is a surface-sensitive tool owing to the total reflection of positrons. Since the sign of the potential energy for positrons in crystals is positive, opposite to that for the electrons, the positron beam at a grazing incidence are totally reflected at a crystal surface. The penetration depth of the positron beam in the total reflection region is estimated to be approximately a few Å, which corresponds to the thickness of 1-2 atomic layers. Thus, the positron beam selectively sees the topmost surface layer and hence the TRHEPD method is very useful for structure determinations of crystal surface and two-dimensional atomic sheet on the substrate. Silicene is a two-dimensional atomic sheet of silicon. Since the silicene has an intriguing property such as a Dirac cone like a graphene, it attracts increasing attention as a candidate for future devices. Recently, the synthesis of silicene on a Ag(111) surface was successfully performed [2]. Although the atomic coordinates of the silicene in this system was theoretically calculated, they were not confirmed experimentally. It is very important to experimentally determine the magnitude of the buckling in silicene and the spacing between the bottom of the silicene and the substrate because the dispersion of the Dirac cone is closely related to these structure parameters. We thus investigated the atomic positions of the silicene on the Ag(111) surface using the TRHEPD [3]. From the rocking curve analysis based on the dynamical diffraction theory of positrons (see figure), the existence of the buckling (0.83 Å) in silicene was verified experimentally. Moreover, the spacing between the silicene and the substrate was determined as 2.17 Å. The structural difference with the graphene will be also discussed.
abstracts
"Reflection high-energy positron diffraction (RHEPD) is the positron counterpart of reflection high-energy electron diffraction (RHEED). RHEPD was proposed in 1992 [1], and first demonstrated in 1998 [2]. Unlike the case of the electron, the potential energy of the positron inside a crystal is positive, and hence positrons incident on a crystal surface with a glancing angle smaller than a certain critical angle are totally reflected. This feature makes the positrons a tool extremely sensitive to the topmost layer of the crystal surface. Recent development of a brightness-enhanced intense positron beam at KEK [K. Wada, et al., J. Phys.: Conf. Ser. 443, 012082 (2013)] has made it possible to obtain clear RHEPD patterns. We rename the technique with a refined beam as ""total reflection high-energy positron diffraction (TRHEPD)"". Here we demonstrate that the TRHEPD pattern from the Si(111)-7x7 DAS surface taken with a glancing angle smaller than the critical angle for the total reflection is essentially determined only by the atoms exposed on the surface (adatoms and the atoms in the first surface layer) [3]. The technical details of the positron beam preparation [M. Maekawa, et al., to be published in Eur. Phys. J. D (2014)], results on the Pt/Ge(001) nano-wire surface[I. Mochizuki, et al., Phys. Rev. B 85, 245438 (2012)], TiO2(110)-1x2 surface, and silicene on Ag(111) surface [Y. Fukaya, et al., Phys. Rev. B 88 205413 (2013)] are also presented in this conference. "
abstracts
Recently, we developed new total reflection high-energy positron diffraction (TRHEPD) apparatus [1] on a beam line of the linac-based intense positron beam of the Slow Positron Facility at KEK, Japan. The high intensity allows us to install a brightness-enhancement section, which to observation of clear positron diffraction patterns for crystal surfaces under total reflection condition. In this work, we investigated the atomic configuration of Pt-induced nanowires formed on a Ge(001) surface [2] using the apparatus. By means of the diffraction intensity analysis based on the dynamical diffraction theory, or TRHEPD rocking curve analysis, a previously proposed theoretical model [D. E. P. Vanpoucke et al., Phys. Rev. B 77, 241308(R) (2008)], composed of Ge dimers on the top layer and buried Pt arrays in the second and fourth layers, was confirmed to be the fundamental structure of the nanowire. We also investigated the atomic configuration of a rutile-TiO2 (110) surface. It is well known that the structure of this surface transforms its periodicity from (1×1) to (1×2) by elevating the sample temperature above ~1100 K, whereas the detailed structure is yet to be revealed. There is a longstanding controversy between the structure models proposed by scanning tunneling microscopy, low energy electron diffraction, surface X-ray diffraction, first-principles calculation with density functional theory results, etc. To solve the problem, we have measured TRHEPD rocking curves and determined the atomic arrangements of the topmost crystal surface [3].
abstracts
A high-intensity mono-energetic positron beam generated by using a linear electron accelerator (linac) provides total reflection high-energy positron diffraction (TRHEPD) researches at Slow Positron Facility (SPF), KEK [1,2]. A pulsed 50-Hz electron beam generated with a dedicated linac (operated at 55 MeV, 0.6 kW) is injected on a Ta converter and causes fast positron-electron pair creation through bremsstrahlung. The positrons showering down on 25 μm-thick W foils, are moderated to thermal energy, and a fraction spontaneously comes out of the foils with an energy of 3 eV owing to the negative work function. The positron converter/moderator assembly is held at an electrostatic voltage of 15 kV for TRHEPD experiment. The emitted positrons are consequently accelerated to 15 keV as they enter the grounded beam-line and are guided by the magnetic field of about 0.015 T to the TRHEPD station. For diffraction experiments, positrons transported by the magnetic field have to be first released into a nonmagnetic region. Since the released positron beam has a large diameter, a brightness-enhancement unit is effectively used to achieve a small-diameter and highly-parallel beam with a sufficient flux. The linac-based positron beam gives about 60 times intensified diffraction pattern from a Si(111)-7x7 reconstructed surface compared to a previous result with a Na-22-based positron beam [3]. An improved signal-to-noise ratio in the obtained pattern due to the intensified beam allowed an observation of clear fractional-order spots in the higher Laue-zones, which had not been observed previously. The much intensified beam with the present system allows adjustment of the sample orientation without accumulating the positron signals. With the brightness enhanced beam, several remarkable results have been obtained efficiently by users of this facility. (Everybody is invited to use KEK Slow Positron Facility through approval of his/her research proposal.)
