Standard

Structure and dynamics of the pure and mixed fluorites MeF2 (Me = Ca, Sr, Ba, and Pb). / Nikiforov, A.; Zakharov, A.; Chernyshev, V. et al.
In: Physics of the Solid State, Vol. 44, No. 8, 2002, p. 1513-1518.

Research output: Contribution to journal › Conference article › peer-review

Harvard

Nikiforov, A, Zakharov, A, Chernyshev, V, Ougryumov, M & Kotomanov, S 2002, 'Structure and dynamics of the pure and mixed fluorites MeF2 (Me = Ca, Sr, Ba, and Pb)', Physics of the Solid State, vol. 44, no. 8, pp. 1513-1518. https://doi.org/10.1134/1.1501348

APA

Nikiforov, A., Zakharov, A., Chernyshev, V., Ougryumov, M., & Kotomanov, S. (2002). Structure and dynamics of the pure and mixed fluorites MeF2 (Me = Ca, Sr, Ba, and Pb). Physics of the Solid State, 44(8), 1513-1518. https://doi.org/10.1134/1.1501348

Vancouver

Nikiforov A, Zakharov A, Chernyshev V, Ougryumov M, Kotomanov S. Structure and dynamics of the pure and mixed fluorites MeF2 (Me = Ca, Sr, Ba, and Pb). Physics of the Solid State. 2002;44(8):1513-1518. doi: 10.1134/1.1501348

Author

Nikiforov, A. ; Zakharov, A. ; Chernyshev, V. et al. / Structure and dynamics of the pure and mixed fluorites MeF2 (Me = Ca, Sr, Ba, and Pb). In: Physics of the Solid State. 2002 ; Vol. 44, No. 8. pp. 1513-1518.

BibTeX

@article{bd3411d627d446c997529e18c3d6e608,
title = "Structure and dynamics of the pure and mixed fluorites MeF2 (Me = Ca, Sr, Ba, and Pb)",
abstract = "The structure and dynamics of the crystal lattice of MeF2 fluorites (Me = Ca, Sr, Ba, and Pb) under external hydrostatic compression (0-3.5 GPa) are calculated within the shell model in the pair potential approximation. The first-order structural phase transition from the cubic to the orthorhombic phase in these crystals under pressure is investigated. The effect of chemical pressure on the BaF2 crystal is analyzed by the simulation of mixed crystals, namely, Ba1 - xCaxF2 and Ba1 - xSrxF2. It is demonstrated that the supercell method, as applied to the simulation of mixed crystals, results in a lower lattice energy per formula unit as compared to the lattice energy obtained by the virtual-crystal method. (C) 2002 MAIK {"}Nauka / Interperiodica{"}.",
author = "A. Nikiforov and A. Zakharov and V. Chernyshev and M. Ougryumov and S. Kotomanov",
note = "This work was supported by the Ministry of Education of the Russian Federation (project no. E00-3.4-227) and the American Foundation for Civilian Research and Development for the promotion of cooperation with scientists from the New Independent States of the former Soviet Union (grant no. REC-005 CRDF).",
year = "2002",
doi = "10.1134/1.1501348",
language = "English",
volume = "44",
pages = "1513--1518",
journal = "Physics of the Solid State",
issn = "1063-7834",
publisher = "American Institute of Physics Publising LLC",
number = "8",

}

RIS

TY - JOUR

T1 - Structure and dynamics of the pure and mixed fluorites MeF2 (Me = Ca, Sr, Ba, and Pb)

AU - Nikiforov, A.

AU - Zakharov, A.

AU - Chernyshev, V.

AU - Ougryumov, M.

AU - Kotomanov, S.

N1 - This work was supported by the Ministry of Education of the Russian Federation (project no. E00-3.4-227) and the American Foundation for Civilian Research and Development for the promotion of cooperation with scientists from the New Independent States of the former Soviet Union (grant no. REC-005 CRDF).

PY - 2002

Y1 - 2002

N2 - The structure and dynamics of the crystal lattice of MeF2 fluorites (Me = Ca, Sr, Ba, and Pb) under external hydrostatic compression (0-3.5 GPa) are calculated within the shell model in the pair potential approximation. The first-order structural phase transition from the cubic to the orthorhombic phase in these crystals under pressure is investigated. The effect of chemical pressure on the BaF2 crystal is analyzed by the simulation of mixed crystals, namely, Ba1 - xCaxF2 and Ba1 - xSrxF2. It is demonstrated that the supercell method, as applied to the simulation of mixed crystals, results in a lower lattice energy per formula unit as compared to the lattice energy obtained by the virtual-crystal method. (C) 2002 MAIK "Nauka / Interperiodica".

AB - The structure and dynamics of the crystal lattice of MeF2 fluorites (Me = Ca, Sr, Ba, and Pb) under external hydrostatic compression (0-3.5 GPa) are calculated within the shell model in the pair potential approximation. The first-order structural phase transition from the cubic to the orthorhombic phase in these crystals under pressure is investigated. The effect of chemical pressure on the BaF2 crystal is analyzed by the simulation of mixed crystals, namely, Ba1 - xCaxF2 and Ba1 - xSrxF2. It is demonstrated that the supercell method, as applied to the simulation of mixed crystals, results in a lower lattice energy per formula unit as compared to the lattice energy obtained by the virtual-crystal method. (C) 2002 MAIK "Nauka / Interperiodica".

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UR - http://www.scopus.com/inward/record.url?partnerID=8YFLogxK&scp=0035982684

U2 - 10.1134/1.1501348

DO - 10.1134/1.1501348

M3 - Conference article

VL - 44

SP - 1513

EP - 1518

JO - Physics of the Solid State

JF - Physics of the Solid State

SN - 1063-7834

IS - 8

ER -

ID: 43720764