Contribution of electronic entropy to the order-disorder transition of Cu3Au
Name
PhysRevResearch.3.023239.pdf
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360.94 KB
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Adobe PDF
Checksum (MD5)
4c5541a0a0cad9ea5604fdbda2715823
Author(s)
Paras, Jonathan (Jonathan Steven)
Allanore, Antoine
Date Issued
June 2021
Journal
Physical Review Research
Publisher
American Physical Society (APS)
Citation
Paras, J. and A. Allanore. "Contribution of electronic entropy to the order-disorder transition of Cu₃Au." Physical Review Research 3, 2 (June 2021): 023239.
Version
Final published version
Abstract
Cu₃Au experiences a phase transition at 662 K from an ordered low-temperature phase to a disordered solid solution. While significant work has been devoted to characterizing the enthalpy of this transition, the apportionment of the entropy has remained out of reach. Current estimates of the vibrational and configurational entropy for the transition are larger than the total entropy of the transition experimentally measured by calorimetry, while calculations of the electronic entropy via ab initio methods have remained difficult. This work calculates an electronic entropy difference of −6.29 J/mol K based on a recent formalism that links experimentally measured electronic transport data and equilibrium thermodynamic properties. The application of this formalism brings some estimates of the vibrational and configurational entropy in line with the calorimetrically measured total entropy.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Terms of Use
Creative Commons Attribution 4.0 International license
Persistent DSpace Link
DOI of Published Version
https://doi.org/10.1103/physrevresearch.3.023239
