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Pressure-induced phase transition of Bi2Te3 to a bcc structure

Mari Einaga, Ayako Ohmura, Atsuko Nakayama, Fumihiro Ishikawa, Yuh Yamada, and Satoshi Nakano
Phys. Rev. B 83, 092102 – Published 17 March 2011
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Abstract

The pressure-induced phase transition of bismuth telluride, Bi2Te3, has been studied by synchrotron x-ray diffraction measurements at room temperature using a diamond-anvil cell (DAC) with loading pressures up to 29.8 GPa. We found a high-pressure body-centered cubic (bcc) phase in Bi2Te3 at 25.2 GPa, which is denoted as phase IV, and this phase appears above 14.5 GPa. Upon releasing the pressure from 29.8 GPa, the diffraction pattern changes with pressure hysteresis. The original rhombohedral phase is recovered at 2.43 GPa. The bcc structure can explain the phase IV peaks. We assumed that the structural model of phase IV is analogous to a substitutional binary alloy; the Bi and Te atoms are distributed in the bcc-lattice sites with space group Im3¯m. The results of a Rietveld analysis based on this model agree well with both the experimental data and calculated results. Therefore, the structure of phase IV in Bi2Te3 can be explained by a solid solution with a bcc lattice in the Bi-Te (60 atomic % tellurium) binary system.

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  • Received 8 December 2010

DOI:https://doi.org/10.1103/PhysRevB.83.092102

©2011 American Physical Society

Authors & Affiliations

Mari Einaga1,*, Ayako Ohmura2, Atsuko Nakayama2, Fumihiro Ishikawa1, Yuh Yamada3, and Satoshi Nakano4

  • 1Graduate School of Science & Technology, Niigata University 8050 Ikarashi-Ninocho, Nishi-ku, Niigata, Niigata 950-2181, Japan
  • 2Center for Transdisciplinary Research, Niigata University 8050 Ikarashi-Ninocho, Nishi-ku, Niigata, Niigata 950-2181, Japan
  • 3Department of Physics, Niigata University 8050 Ikarashi-Ninocho, Nishi-ku, Niigata, Niigata 950-2181, Japan
  • 4National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba 305-0044, Japan

  • *einaga.mari@phys.sc.niigata-u.ac.jp

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Vol. 83, Iss. 9 — 1 March 2011

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  • Figure 1
    Figure 1
    X-ray diffraction patterns of Bi2Te3 under pressure up to 29.8 GPa at room temperature. Arrows indicate reflection of phase IV. Closed and open triangles indicate reflections of phases II and III, respectively. Top pattern was observed at ambient pressure after releasing pressure. Letter G denotes reflection from gasket.Reuse & Permissions
  • Figure 2
    Figure 2
    (a) Powder diffraction images of Bi2Te3 at 25.2 GPa recorded on an imaging plate. The spot in the diffraction image comes from Kossel lines of the diamond anvil, which were removed by image processing. (b) Result of Rietveld analysis of Bi2Te3 at 25.2 GPa. Dots and solid line represent the observed and calculated intensities, respectively. Ticks below the profile mark the positions of the reflections from the bcc lattice. Solid line at the bottom shows the residual error.Reuse & Permissions
  • Figure 3
    Figure 3
    Pressure dependence of the atomic volume for phases I and IV. Closed circles indicate the atomic volume of phase IV. Closed and open squares indicate the atomic volume of the present and previous data of phase I, respectively. Pressure dependence of the atomic volume for phase II and phase III have not been obtained since the crystal structures have yet to be determined.Reuse & Permissions
  • Figure 4
    Figure 4
    Pressure dependence of the atomic volume for high-pressure bcc phase of Bi2Te3, Bi, and Te. Closed circles are experimentally observed Bi2Te3. Solid line are estimated from Vegard’s law. Dotted line is from Ref. 24 for Bi. Dashed line is from Ref. 25 for Te.Reuse & Permissions
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