Lattice-dynamical studies of Ti in the hcp- and ω -phase by Raman scattering at high-pressure

H. Olijnyk, S. Nakano, A. P. Jephcoat, K. Takemura

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Ti metal was investigated by Raman spectroscopy for pressures up to 46 GPa. The E2g mode of the hcp phase shows no softening on approaching the transition to the ω phase, which contrasts the behavior of its heavier homologue Zr, however, it exhibits an anomalously low mode Grüneisen parameter. It is shown that this unusual behavior is also reflected in the pressure response of elastic modulus C44. At ambient conditions the contributions to the temperature shift of this mode due to thermal expansion are one order of magnitude smaller than the explicit contribution. The E2g mode of the ω phase exhibits a positive frequency shift with an ambient pressure mode Grüneisen parameter γ2, slightly higher than that of Zr, becoming smaller under compression. Predictions of a recent first principles calculation, limited to normal pressure and in quite good agreement with experimental data for hcp Ti, underestimate the frequency of the E2g mode of the ω phase by 17%.

Original languageEnglish
Article number104302
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume74
Issue number10
DOIs
Publication statusPublished - 2006
Externally publishedYes

Fingerprint

Raman scattering
Raman spectra
Thermal expansion
Raman spectroscopy
Elastic moduli
Metals
phase contrast
softening
frequency shift
thermal expansion
modulus of elasticity
shift
predictions
metals
Temperature
temperature

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Lattice-dynamical studies of Ti in the hcp- and ω -phase by Raman scattering at high-pressure. / Olijnyk, H.; Nakano, S.; Jephcoat, A. P.; Takemura, K.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 74, No. 10, 104302, 2006.

Research output: Contribution to journalArticle

@article{ac40b1e0dd7f411db333ef0cb7038933,
title = "Lattice-dynamical studies of Ti in the hcp- and ω -phase by Raman scattering at high-pressure",
abstract = "Ti metal was investigated by Raman spectroscopy for pressures up to 46 GPa. The E2g mode of the hcp phase shows no softening on approaching the transition to the ω phase, which contrasts the behavior of its heavier homologue Zr, however, it exhibits an anomalously low mode Gr{\"u}neisen parameter. It is shown that this unusual behavior is also reflected in the pressure response of elastic modulus C44. At ambient conditions the contributions to the temperature shift of this mode due to thermal expansion are one order of magnitude smaller than the explicit contribution. The E2g mode of the ω phase exhibits a positive frequency shift with an ambient pressure mode Gr{\"u}neisen parameter γ2, slightly higher than that of Zr, becoming smaller under compression. Predictions of a recent first principles calculation, limited to normal pressure and in quite good agreement with experimental data for hcp Ti, underestimate the frequency of the E2g mode of the ω phase by 17{\%}.",
author = "H. Olijnyk and S. Nakano and Jephcoat, {A. P.} and K. Takemura",
year = "2006",
doi = "10.1103/PhysRevB.74.104302",
language = "English",
volume = "74",
journal = "Physical Review B-Condensed Matter",
issn = "1098-0121",
publisher = "American Physical Society",
number = "10",

}

TY - JOUR

T1 - Lattice-dynamical studies of Ti in the hcp- and ω -phase by Raman scattering at high-pressure

AU - Olijnyk, H.

AU - Nakano, S.

AU - Jephcoat, A. P.

AU - Takemura, K.

PY - 2006

Y1 - 2006

N2 - Ti metal was investigated by Raman spectroscopy for pressures up to 46 GPa. The E2g mode of the hcp phase shows no softening on approaching the transition to the ω phase, which contrasts the behavior of its heavier homologue Zr, however, it exhibits an anomalously low mode Grüneisen parameter. It is shown that this unusual behavior is also reflected in the pressure response of elastic modulus C44. At ambient conditions the contributions to the temperature shift of this mode due to thermal expansion are one order of magnitude smaller than the explicit contribution. The E2g mode of the ω phase exhibits a positive frequency shift with an ambient pressure mode Grüneisen parameter γ2, slightly higher than that of Zr, becoming smaller under compression. Predictions of a recent first principles calculation, limited to normal pressure and in quite good agreement with experimental data for hcp Ti, underestimate the frequency of the E2g mode of the ω phase by 17%.

AB - Ti metal was investigated by Raman spectroscopy for pressures up to 46 GPa. The E2g mode of the hcp phase shows no softening on approaching the transition to the ω phase, which contrasts the behavior of its heavier homologue Zr, however, it exhibits an anomalously low mode Grüneisen parameter. It is shown that this unusual behavior is also reflected in the pressure response of elastic modulus C44. At ambient conditions the contributions to the temperature shift of this mode due to thermal expansion are one order of magnitude smaller than the explicit contribution. The E2g mode of the ω phase exhibits a positive frequency shift with an ambient pressure mode Grüneisen parameter γ2, slightly higher than that of Zr, becoming smaller under compression. Predictions of a recent first principles calculation, limited to normal pressure and in quite good agreement with experimental data for hcp Ti, underestimate the frequency of the E2g mode of the ω phase by 17%.

UR - http://www.scopus.com/inward/record.url?scp=33748765548&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=33748765548&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.74.104302

DO - 10.1103/PhysRevB.74.104302

M3 - Article

AN - SCOPUS:33748765548

VL - 74

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

IS - 10

M1 - 104302

ER -