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Related Concept Videos

Phase Transitions02:31

Phase Transitions

23.6K
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 Transitions01:21

Phase Transitions

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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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Phase Diagrams02:39

Phase Diagrams

51.1K
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...
51.1K
Phase Diagram01:19

Phase Diagram

7.2K
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).
7.2K
Phase Diagram01:24

Phase Diagram

52
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 Transitions: Melting and Freezing02:39

Phase Transitions: Melting and Freezing

15.5K
Heating a crystalline solid increases the average energy of its atoms, molecules, or ions, and the solid gets hotter. At some point, the added energy becomes large enough to partially overcome the forces holding the molecules or ions of the solid in their fixed positions, and the solid begins the process of transitioning to the liquid state or melting. At this point, the temperature of the solid stops rising, despite the continual input of heat, and it remains constant until all of the solid is...
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Related Experiment Video

Updated: Mar 11, 2026

High-Sensitivity Nuclear Magnetic Resonance at Giga-Pascal Pressures: A New Tool for Probing Electronic and Chemical Properties of Condensed Matter under Extreme Conditions
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First-principles study of pressure-induced structural phase transitions in MnF2.

S López-Moreno1, A H Romero2, J Mejía-López3

  • 1CONACYT - Centre for Corrosion Research, Autonomous University of Campeche, Av. Héroe de Nacozari 480, Campeche 24070, Mexico. sinlopez@uacam.mx.

Physical Chemistry Chemical Physics : PCCP
|November 30, 2016
PubMed
Summary

This study reveals the pressure-induced structural phase transitions in manganese difluoride (MnF2). Calculations predict a specific sequence of phase changes under varying pressure conditions, impacting its magnetic and vibrational properties.

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Synthesis and Microdiffraction at Extreme Pressures and Temperatures
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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Computational Materials Science

Background:

  • Manganese difluoride (MnF2) is an important material with complex magnetic and structural properties.
  • Understanding its behavior under pressure is crucial for predicting its performance in extreme conditions.
  • Previous studies on related materials provide a basis for investigating MnF2's high-pressure phases.

Purpose of the Study:

  • To perform a comprehensive structural and magnetic characterization of crystalline MnF2 under pressure.
  • To elucidate the pressure-driven structural phase transition pathway in MnF2.
  • To investigate the influence of hydrostatic and non-hydrostatic conditions on these transitions.

Main Methods:

  • First-principles calculations based on Density Functional Theory (DFT) with the generalized gradient approximation plus the Hubbard formalism (GGA+U).
  • Quasi-harmonic approximation (QHA) to calculate free energy and determine structural transitions at 300 K.
  • Consideration of ten candidate structures for high-pressure regimes, including hydrostatic and non-hydrostatic strains.

Main Results:

  • A detailed sequence of pressure-induced structural phase transitions for MnF2 was determined: rutile → α-PbO2-type → dist. HP PdF2-type → dist. fluorite → cotunnite.
  • The proposed transition path correlates with observed phase transitions in other metal rutile fluorides.
  • The study explains variations in experimental transition paths by accounting for hydrostatic conditions.

Conclusions:

  • The calculated structural phase transition sequence provides a theoretical framework for understanding MnF2's high-pressure behavior.
  • The findings highlight the critical role of pressure and hydrostatic conditions in modifying MnF2's structural, electronic, and magnetic properties.
  • This work offers insights into the fundamental physics governing transition metal difluorides under extreme conditions.