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Positive vibrational entropy of chemical ordering in FeV.

Publication ,  Journal Article
Muñoz, JA; Lucas, MS; Delaire, O; Winterrose, ML; Mauger, L; Li, CW; Sheets, AO; Stone, MB; Abernathy, DL; Xiao, Y; Chow, P; Fultz, B
Published in: Physical review letters
September 2011

Inelastic neutron scattering and nuclear resonant inelastic x-ray scattering were used to measure phonon spectra of FeV as a B2 ordered compound and as a bcc solid solution. The two data sets were combined to give an accurate phonon density of states, and the phonon partial densities of states for V and Fe atoms. Contrary to the behavior of ordering alloys studied to date, the phonons in the B2 ordered phase are softer than in the solid solution. Ordering increases the vibrational entropy by +0.22±0.03 kB/atom, which stabilizes the ordered phase to higher temperatures. First-principles calculations show that the number of electronic states at the Fermi level increases upon ordering, enhancing the screening between ions, and reducing the interatomic force constants. The effect of screening is larger at the V atomic sites than at the Fe atomic sites.

Duke Scholars

Published In

Physical review letters

DOI

EISSN

1079-7114

ISSN

0031-9007

Publication Date

September 2011

Volume

107

Issue

11

Start / End Page

115501

Related Subject Headings

  • General Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences
 

Citation

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Muñoz, J. A., Lucas, M. S., Delaire, O., Winterrose, M. L., Mauger, L., Li, C. W., … Fultz, B. (2011). Positive vibrational entropy of chemical ordering in FeV. Physical Review Letters, 107(11), 115501. https://doi.org/10.1103/physrevlett.107.115501
Muñoz, J. A., M. S. Lucas, O. Delaire, M. L. Winterrose, L. Mauger, Chen W. Li, A. O. Sheets, et al. “Positive vibrational entropy of chemical ordering in FeV.Physical Review Letters 107, no. 11 (September 2011): 115501. https://doi.org/10.1103/physrevlett.107.115501.
Muñoz JA, Lucas MS, Delaire O, Winterrose ML, Mauger L, Li CW, et al. Positive vibrational entropy of chemical ordering in FeV. Physical review letters. 2011 Sep;107(11):115501.
Muñoz, J. A., et al. “Positive vibrational entropy of chemical ordering in FeV.Physical Review Letters, vol. 107, no. 11, Sept. 2011, p. 115501. Epmc, doi:10.1103/physrevlett.107.115501.
Muñoz JA, Lucas MS, Delaire O, Winterrose ML, Mauger L, Li CW, Sheets AO, Stone MB, Abernathy DL, Xiao Y, Chow P, Fultz B. Positive vibrational entropy of chemical ordering in FeV. Physical review letters. 2011 Sep;107(11):115501.

Published In

Physical review letters

DOI

EISSN

1079-7114

ISSN

0031-9007

Publication Date

September 2011

Volume

107

Issue

11

Start / End Page

115501

Related Subject Headings

  • General Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences