Skip to main content

Raman spectroscopy and theoretical modeling of BeO at high pressure

Publication ,  Journal Article
Jephcoat, AP; Hemley, RJ; Mao, HK; Cohen, RE; Mehl, MJ
Published in: Physical Review B
January 1, 1988

The pressure dependence of the vibrational properties of BeO has been studied by Raman spectroscopy with a diamond-anvil, high-pressure cell. Five fundamental bands in the Raman spectrum were measured at room temperature for both a single crystal compressed with an argon medium to 41.5 GPa and a polycrystalline sample with no medium to 55 GPa. The frequencies of four modes [A1(TO), A1(LO), E1(TO), and E2] have a strong, positive pressure dependence, whereas that of the lowest-frequency mode (E2 symmetry at 338 cm-1) is weakly positive. No pressure-induced phase transitions were observed in BeO to the highest pressure of the experiments. These results are compared with parameter-free calculations using the potential-induced breathing (PIB) model. A transition from the wurtzite structure (B4) to the rocksalt structure (B1) is predicted at 40 GPa and is consistent with the experimental result since a pressure greater than the equilibrium transition pressure would be required to nucleate the B1 phase. The Raman frequencies and mode Gr̈neisen parameters calculated with PIB lattice dynamics agree closely with the experimental measurements. © 1988 The American Physical Society.

Duke Scholars

Published In

Physical Review B

DOI

ISSN

0163-1829

Publication Date

January 1, 1988

Volume

37

Issue

9

Start / End Page

4727 / 4734
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Jephcoat, A. P., Hemley, R. J., Mao, H. K., Cohen, R. E., & Mehl, M. J. (1988). Raman spectroscopy and theoretical modeling of BeO at high pressure. Physical Review B, 37(9), 4727–4734. https://doi.org/10.1103/PhysRevB.37.4727
Jephcoat, A. P., R. J. Hemley, H. K. Mao, R. E. Cohen, and M. J. Mehl. “Raman spectroscopy and theoretical modeling of BeO at high pressure.” Physical Review B 37, no. 9 (January 1, 1988): 4727–34. https://doi.org/10.1103/PhysRevB.37.4727.
Jephcoat AP, Hemley RJ, Mao HK, Cohen RE, Mehl MJ. Raman spectroscopy and theoretical modeling of BeO at high pressure. Physical Review B. 1988 Jan 1;37(9):4727–34.
Jephcoat, A. P., et al. “Raman spectroscopy and theoretical modeling of BeO at high pressure.” Physical Review B, vol. 37, no. 9, Jan. 1988, pp. 4727–34. Scopus, doi:10.1103/PhysRevB.37.4727.
Jephcoat AP, Hemley RJ, Mao HK, Cohen RE, Mehl MJ. Raman spectroscopy and theoretical modeling of BeO at high pressure. Physical Review B. 1988 Jan 1;37(9):4727–4734.

Published In

Physical Review B

DOI

ISSN

0163-1829

Publication Date

January 1, 1988

Volume

37

Issue

9

Start / End Page

4727 / 4734