Effects of temperature and pressure on phonons in FeSi1–xAlx

Delaire, O.; Al-Qasir, I. I.; Ma, J.; dos Santos, A. M.; Sales, B. C.; Mauger, L.; Stone, M. B.; Abernathy, D. L.; Xiao, Y.; Somayazulu, M.

doi:10.1103/PhysRevB.87.184304

Effects of temperature and pressure on phonons in FeSi_1–xAl_x

Journal Article · Fri May 31 04:00:00 EDT 2013 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.87.184304· OSTI ID:1102785

Delaire, O.; Al-Qasir, I. I.; Ma, J.; dos Santos, A. M.; Sales, B. C.; Mauger, L.; Stone, M. B.; Abernathy, D. L.; Xiao, Y.; Somayazulu, M.

The effects of temperature and pressure on phonons in B20 compounds FeSi_1–xAl_x were measured using inelastic neutron scattering and nuclear-resonant inelastic x-ray scattering. The effect of hole doping through Al substitution is compared to results of alloying with Co (electron doping) in Fe₁₋_xCo_xSi. While the temperature dependence of phonons in FeSi is highly anomalous, doping with either type of carriers leads to a recovery of the normal quasiharmonic behavior. Density functional theory (DFT) computations of the electronic band structure and phonons were performed. The anomaly in the temperature dependence of the phonons in undoped FeSi was related to the narrow band gap, and its sensitivity to the effect of thermal disordering by phonons. On the other hand, the pressure dependence of phonons at room temperature in undoped FeSi follows the quasiharmonic behavior and is well reproduced by the DFT calculations.

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Sponsoring Organization:: USDOE

OSTI ID:: 1102785

Alternate ID(s):: OSTI ID: 1160726
OSTI ID: 1382606
OSTI ID: 1087742
OSTI ID: 1088130

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 18 Vol. 87; ISSN 1098-0121; ISSN PRBMDO

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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