Scholars@Duke publication: Predicted properties of NaCaF3

Predicted properties of NaCaF3

Publication , Conference

Boyer, LL; Mehl, MJ; Mei, WN; Duan, CG; Flocken, JW; Guenther, RA; Hardy, JR; Stokes, HT; Edwardson, PJ

Published in: Aip Conference Proceedings

September 12, 2000

More than a decade ago computer simulations based on Gordon-Kirn potentials suggested that NaCaF3 would be a ferroelectric compound if it could be formed experimentally. Recent attempts to form thin films of NaCaF3 using pulsed-laser deposition have prompted us to carry out further theoretical studies of this material. Here we apply the self-consistent atomic deformation method to calculate electronic, structural and vibrational properties of NaCaF3 and the constituent compounds NaF and CaF2.

Duke Scholars

Author Michael J Mehl Thomas Lord Department of Mechanical Engineering and Materia ...

Published In

Aip Conference Proceedings

DOI

10.1063/1.1324475

EISSN

1551-7616

ISSN

0094-243X

Publication Date

September 12, 2000

Volume

535

Start / End Page

364 / 371

Citation

APA

Chicago

ICMJE

MLA

NLM

Boyer, L. L., Mehl, M. J., Mei, W. N., Duan, C. G., Flocken, J. W., Guenther, R. A., … Edwardson, P. J. (2000). Predicted properties of NaCaF3. In Aip Conference Proceedings (Vol. 535, pp. 364–371). https://doi.org/10.1063/1.1324475

Boyer, L. L., M. J. Mehl, W. N. Mei, C. G. Duan, J. W. Flocken, R. A. Guenther, J. R. Hardy, H. T. Stokes, and P. J. Edwardson. “Predicted properties of NaCaF3.” In Aip Conference Proceedings, 535:364–71, 2000. https://doi.org/10.1063/1.1324475.

Boyer LL, Mehl MJ, Mei WN, Duan CG, Flocken JW, Guenther RA, et al. Predicted properties of NaCaF3. In: Aip Conference Proceedings. 2000. p. 364–71.

Boyer, L. L., et al. “Predicted properties of NaCaF3.” Aip Conference Proceedings, vol. 535, 2000, pp. 364–71. Scopus, doi:10.1063/1.1324475.

Boyer LL, Mehl MJ, Mei WN, Duan CG, Flocken JW, Guenther RA, Hardy JR, Stokes HT, Edwardson PJ. Predicted properties of NaCaF3. Aip Conference Proceedings. 2000. p. 364–371.

Published In

Aip Conference Proceedings

DOI

10.1063/1.1324475

EISSN

1551-7616

ISSN

0094-243X

Publication Date

September 12, 2000

Volume

535

Start / End Page

364 / 371