Thermodynamics of the Ce γ-α Transition: Density-functional study

Y. Wang, L. G. Hector, H. Zhang, S. L. Shang, L. Q. Chen, Z. K. Liu

Research output: Contribution to journalArticle

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Abstract

We investigate the Cerium γ-α isostructural phase transition by explicitly incorporating finite temperature mixing of the Ce nonmagnetic and magnetic states. Unique to our approach is the calculation of vibrational properties from phonon theory. The critical behavior of the transition is shown to be controlled by the configurational mixing entropy between the magnetic and nonmagnetic states. Our theoretical framework leads to accurate predictions of the critical point and equation of state associated with the Ce γ-α phase transition.

Original languageEnglish (US)
Article number104113
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume78
Issue number10
DOIs
StatePublished - Sep 19 2008

Fingerprint

Phase transitions
Thermodynamics
Cerium
thermodynamics
Equations of state
Entropy
cerium
critical point
equations of state
entropy
predictions
Temperature
temperature

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

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Thermodynamics of the Ce γ-α Transition : Density-functional study. / Wang, Y.; Hector, L. G.; Zhang, H.; Shang, S. L.; Chen, L. Q.; Liu, Z. K.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 78, No. 10, 104113, 19.09.2008.

Research output: Contribution to journalArticle

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AU - Liu, Z. K.

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