Predicted properties of NaCaF3

L. L. Boyer; M. J. Mehl; W. N. Mei; Chun Gang Duan; J. W. Flocken; R. A. Guenther; J. R. Hardy; H. T. Stokes; P. J. Edwardson

doi:10.1063/1.1324475

Predicted properties of NaCaF₃

L. L. Boyer, M. J. Mehl, W. N. Mei, Chun Gang Duan, J. W. Flocken, R. A. Guenther, J. R. Hardy, H. T. Stokes, P. J. Edwardson

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

8 Scopus citations

Abstract

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.

Original language	English
Title of host publication	Fundamental Physics of Ferroelectrics 2000
Subtitle of host publication	Aspen Center for Physics Winter Workshop
Editors	Ronald E. Cohen, Richard A. Mewaldt
Publisher	American Institute of Physics Inc.
Pages	364-371
Number of pages	8
ISBN (Electronic)	1563969599
DOIs	https://doi.org/10.1063/1.1324475
State	Published - 12 Sep 2000
Externally published	Yes
Event	Aspen Center for Physics Winter Workshop on Fundamental Physics of Ferroelectrics 2000 - Aspen, United States Duration: 13 Feb 2000 → 20 Feb 2000

Publication series

Name	AIP Conference Proceedings
Volume	535
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Conference

Conference	Aspen Center for Physics Winter Workshop on Fundamental Physics of Ferroelectrics 2000
Country/Territory	United States
City	Aspen
Period	13/02/00 → 20/02/00

Access to Document

10.1063/1.1324475

Cite this

Boyer, L. L., Mehl, M. J., Mei, W. N., Duan, C. G., Flocken, J. W., Guenther, R. A., Hardy, J. R., Stokes, H. T., & Edwardson, P. J. (2000). Predicted properties of NaCaF₃. In R. E. Cohen, & R. A. Mewaldt (Eds.), Fundamental Physics of Ferroelectrics 2000: Aspen Center for Physics Winter Workshop (pp. 364-371). (AIP Conference Proceedings; Vol. 535). American Institute of Physics Inc.. https://doi.org/10.1063/1.1324475

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title = "Predicted properties of NaCaF3",

abstract = "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.",

author = "Boyer, \{L. L.\} and Mehl, \{M. J.\} and Mei, \{W. N.\} and Duan, \{Chun Gang\} and Flocken, \{J. W.\} and Guenther, \{R. A.\} and Hardy, \{J. R.\} and Stokes, \{H. T.\} and Edwardson, \{P. J.\}",

note = "Publisher Copyright: {\textcopyright} 2000 American Institute of Physics.; Aspen Center for Physics Winter Workshop on Fundamental Physics of Ferroelectrics 2000 ; Conference date: 13-02-2000 Through 20-02-2000",

year = "2000",

month = sep,

day = "12",

doi = "10.1063/1.1324475",

language = "英语",

series = "AIP Conference Proceedings",

publisher = "American Institute of Physics Inc.",

pages = "364--371",

editor = "Cohen, \{Ronald E.\} and Mewaldt, \{Richard A.\}",

booktitle = "Fundamental Physics of Ferroelectrics 2000",

}

Boyer, LL, Mehl, MJ, Mei, WN, Duan, CG, Flocken, JW, Guenther, RA, Hardy, JR, Stokes, HT & Edwardson, PJ 2000, Predicted properties of NaCaF₃. in RE Cohen & RA Mewaldt (eds), Fundamental Physics of Ferroelectrics 2000: Aspen Center for Physics Winter Workshop. AIP Conference Proceedings, vol. 535, American Institute of Physics Inc., pp. 364-371, Aspen Center for Physics Winter Workshop on Fundamental Physics of Ferroelectrics 2000, Aspen, United States, 13/02/00. https://doi.org/10.1063/1.1324475

Predicted properties of NaCaF₃. / Boyer, L. L.; Mehl, M. J.; Mei, W. N. et al.
Fundamental Physics of Ferroelectrics 2000: Aspen Center for Physics Winter Workshop. ed. / Ronald E. Cohen; Richard A. Mewaldt. American Institute of Physics Inc., 2000. p. 364-371 (AIP Conference Proceedings; Vol. 535).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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AU - Flocken, J. W.

AU - Guenther, R. A.

AU - Hardy, J. R.

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AU - Edwardson, P. J.

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AB - 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.

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