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Electron-phonon interactions and high-temperature thermodynamics of vanadium and its alloys

Delaire, O. and Kresch, M. and Muñoz, J. A. and Lucas, M. S. and Lin, J. Y. Y. and Fultz, B. (2008) Electron-phonon interactions and high-temperature thermodynamics of vanadium and its alloys. Physical Review B, 77 (21). Art. No. 214112. ISSN 1098-0121. doi:10.1103/PhysRevB.77.214112.

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Inelastic neutron scattering was used to measure the phonon densities of states (DOSs) for pure V and solid solutions of V with 6 to 7at% of Co, Nb, and Pt, at temperatures from 10 K to 1323 K. Ancillary measurements of heat capacity and thermal expansion are reported on V and V-7at%Co and used to help identify the different sources of entropy. Pure V exhibits an anomalous anharmonic stiffening of phonons with increasing temperature. This anharmonicity is suppressed by Co and Pt, but not by isoelectronic Nb solutes. The changes in phonon frequency with alloying and with temperature both correlate to the decrease in electron density of states (DOS) at the Fermi level as calculated using density functional theory. The effects of both temperature and alloying can be understood in terms of an adiabatic electron-phonon interaction (EPI), which broadens sharp features in the electron DOS. These results show that the adiabatic EPI can influence the phonon thermodynamics at temperatures exceeding 1000 K, and that thermal trends of phonons may help assess the strength of the EPI.

Item Type:Article
Related URLs:
URLURL TypeDescription
Lin, J. Y. Y.0000-0001-9233-0100
Fultz, B.0000-0002-6364-8782
Additional Information:© 2008 The American Physical Society. (Received 1 May 2008; published 25 June 2008) We thank F. Trouw, M. Hehlen, J.L. Robertson, and E. Goremychkin for help with neutron-scattering experiments. We thank J. McCorquodale for help with computing systems. This work has benefited from the use of LANSCE at the Los Alamos National Laboratory and IPNS at the Argonne National Laboratory, funded by the U.S. DOE under Contracts No. W-7405-ENG-36 and DE-AC02-06CH11357. Use of Oak Ridge National Laboratory was also supported by the U.S. DOE. This work was supported by DOE BES Grant No. DE-FG02-03ER46055.
Funding AgencyGrant Number
Department of Energy (DOE)W-7405-ENG-36
Department of Energy (DOE)DE-AC02-06CH11357
Department of Energy (DOE)DE-FG02-03ER46055
Subject Keywords:anharmonic lattice modes; cobalt alloys; density functional theory; electronic density of states; electron-phonon interactions; entropy; Fermi level; niobium alloys; specific heat; thermal expansion; vanadium; vanadium alloys
Issue or Number:21
Record Number:CaltechAUTHORS:DELprb08
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:11230
Deposited By: Archive Administrator
Deposited On:26 Jul 2008 02:29
Last Modified:08 Nov 2021 21:34

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