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γ-α isostructural transition in cerium
Nicola Lanatà1, Yong-Xin Yao, Cai-Zhuang Wang
1Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08856-8019, USA.
Physical Review Letters
|November 26, 2013
Summary
We discovered a zero-temperature transition signature in elemental cerium, observable only with spin-orbit coupling. This suggests cerium is near a quantum critical point, aligning with experimental findings.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Quantum Mechanics
Background:
- Elemental cerium exhibits complex phase behavior, particularly the pressure-induced transition between alpha and gamma phases.
- Understanding these transitions is crucial for predicting material properties under extreme conditions.
Purpose of the Study:
- To investigate the pressure-volume phase diagram of elemental cerium at zero temperature.
- To identify the key physical mechanisms governing the alpha-gamma transition in cerium.
- To assess cerium's proximity to a quantum critical point.
Main Methods:
- First-principles calculations were employed to model elemental cerium.
- A theoretical framework capable of describing both alpha and gamma phases simultaneously was utilized.
- The pressure-volume phase diagram was computed, including the effects of spin-orbit coupling.
Main Results:
- A distinct signature of the phase transition at zero temperature was identified.
- This signature was found to be dependent on the inclusion of spin-orbit coupling.
- Calculations revealed a low-temperature critical point near negative pressures, suggesting quantum criticality.
Conclusions:
- Spin-orbit coupling is essential for accurately describing the zero-temperature transition in cerium.
- Cerium is remarkably close to a quantum critical point, as indicated by theoretical calculations.
- The findings support recent experimental observations regarding cerium's quantum critical behavior.
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