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Phase Transitions

Phase Transitions

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...

Phase Diagram

Phase Diagram

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).

Properties of Transition Metals

Properties of Transition Metals

Transition metals are defined as those elements that have partially filled d orbitals. As shown in Figure 1, the d-block elements in groups 3–12 are transition elements. The f-block elements, also called inner transition metals (the lanthanides and actinides), also meet this criterion because the d orbital is partially occupied before the f orbitals.

Phase Diagrams

Phase Diagrams

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...

Phase Transitions: Sublimation and Deposition

Phase Transitions: Sublimation and Deposition

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...

Colors and Magnetism

Colors and Magnetism

Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...

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Related Experiment Video

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Chemical Synthesis of Porous Barium Titanate Thin Film and Thermal Stabilization of Ferroelectric Phase by Porosity-Induced Strain

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Tunable phase transitions in half-Heusler TbPtBi compound.

Pratik D Patel^1,2, Akariti Sharma¹, Bharathiganesh Devanarayanan^1,3

¹Theoretical Physics Division, Physical Research Laboratory, Navrangpura, Ahmedabad 380009, India.

Journal of Physics. Condensed Matter : an Institute of Physics Journal

|November 7, 2022

Summary

We explored phase transitions in TbPtBi using density functional theory. Spin-orbit coupling and strain induce metallic, topological semimetallic, and semiconducting phases, promising for quantum devices.

Keywords:

density functional theory electronic structure half-Heusler compound phase transition spin–orbit coupling

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Area of Science:

Condensed Matter Physics
Materials Science
Quantum Chemistry

Background:

Half-Heusler compounds are topologically interesting materials.
Understanding phase transitions is crucial for novel quantum device applications.

Purpose of the Study:

Investigate strain-induced phase transitions in TbPtBi.
Explore the role of spin-orbit coupling (SOC) in these transitions.
Identify potential applications in quantum devices.

Main Methods:

Density Functional Theory (DFT) calculations.
Inclusion of spin-orbit coupling (SOC).
Application of compressive and tensile strain.

Main Results:

Metallic to topological semimetallic transition with SOC.
Compressive strain induces transitions to trivial semimetal and then semiconductor.
Tensile strain increases hole pocket size without phase change.

Conclusions:

TbPtBi exhibits tunable phase transitions under strain and SOC.
These transitions are promising for applications like strain gauges and quantum devices.