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Phase Diagram01:19

Phase Diagram

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The phase of a given substance depends on the pressure and temperature. Thus, plots of pressure versus temperature showing the phase in each region provide considerable insights into the thermal properties of substances. Such plots are known as phase diagrams. For instance, in the phase diagram for water (Figure 1), the solid curve boundaries between the phases indicate phase transitions (i.e., temperatures and pressures at which the phases coexist).
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A phase diagram is a graphical representation of the physical states of a substance under different conditions of temperature and pressure. It shows the boundaries between solid, liquid, and gas phases and the conditions at which these phases coexist in equilibrium. An area in a phase diagram represents a single phase, whereas lines or phase boundaries represent the equilibrium between two phases.In the phase diagram of water, the boundary line between the solid and liquid states illustrates...
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Phase Transitions01:21

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A phase transition is the process in which a substance changes from one state of matter to another, like from a solid to a liquid, liquid to gas, or vice versa, at a specific temperature and under given pressure conditions. This change is spontaneous and is affected by alterations in temperature and pressure. These parameters impact the strength of the forces between molecules (intermolecular forces) in the substance.During a phase transition, both the initial and final phases of the substance...
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Whether solid, liquid, or gas, a substance's state depends on the order and arrangement of its particles (atoms, molecules, or ions). Particles in the solid pack closely together, generally in a pattern. The particles vibrate about their fixed positions but do not move or squeeze past their neighbors. In liquids, although the particles are closely spaced, they are randomly arranged. The position of the particles are not fixed—that is, they are free to move past their neighbors to...
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Phase Diagrams

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A phase diagram combines plots of pressure versus temperature for the liquid-gas, solid-liquid, and solid-gas phase-transition equilibria of a substance. These diagrams indicate the physical states that exist under specific conditions of pressure and temperature and also provide the pressure dependence of the phase-transition temperatures (melting points, sublimation points, boiling points). Regions or areas labeled solid, liquid, and gas represent single phases, while lines or curves represent...
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Some solids can transition directly into the gaseous state, bypassing the liquid state, via a process known as sublimation. At room temperature and standard pressure, a piece of dry ice (solid CO2) sublimes, appearing to gradually disappear without ever forming any liquid. Snow and ice sublimate at temperatures below the melting point of water, a slow process that may be accelerated by winds and the reduced atmospheric pressures at high altitudes. When solid iodine is warmed, the solid sublimes...
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Structural phase transitions in Bi2Se3 under high pressure.

Zhenhai Yu1, Lin Wang1,2,3, Qingyang Hu1,3

  • 1Center for High Pressure Science and Technology Advanced Research, Shanghai, 201203, People's Republic of China.

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|November 3, 2015
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Summary

Bismuth selenide (Bi2Se3) transforms under high pressure, evolving from a rhombohedral phase to a monoclinic and then a body-centered tetragonal phase. This study confirms the tetragonal structure over the previously reported cubic phase up to 81.2 GPa.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Solid State Chemistry

Background:

  • Bismuth selenide (Bi2Se3) is a topological insulator with unique electronic properties.
  • Understanding its structural behavior under pressure is crucial for potential applications.

Purpose of the Study:

  • To investigate the pressure-induced phase transformations of Bi2Se3.
  • To determine the high-pressure crystal structure of Bi2Se3.
  • To compare the structural evolution of Bi2Se3 with isostructural compounds.

Main Methods:

  • High-pressure experiments using Raman spectroscopy up to 35.6 GPa.
  • Angle-dispersive X-ray diffraction (XRD) up to 81.2 GPa.
  • First-principles theoretical calculations.

Main Results:

  • Bi2Se3 undergoes a phase transition from rhombohedral (R-3m) to monoclinic (C2/m) and finally to a body-centered tetragonal (I4/mmm) phase.
  • XRD data up to 81.2 GPa confirm the stabilization of the I4/mmm phase, contradicting previous reports of a disordered body-centered cubic (BCC) phase.
  • Raman spectra remained active up to ~35 GPa, and the disordered BCC phase was not observed.

Conclusions:

  • The high-pressure phase of Bi2Se3 is body-centered tetragonal (I4/mmm), not disordered BCC.
  • First-principles calculations support the stability of the I4/mmm phase above 30 GPa.
  • Differences in atomic radii between Bi and Se may explain Bi2Se3's distinct structural behavior compared to Bi2Te3 and Sb2Te3.