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Microscopic stability mechanisms of a charge-ordered phase of La1.5Sr0.5NiO4. / Zakharov, A.; Nikiforov, A.; Smorkalov, Viktor A.
In: Physics of the Solid State, Vol. 42, No. 8, 08.2000, p. 1483-1487.

Research output: Contribution to journal › Article › peer-review

Harvard

Zakharov, A, Nikiforov, A & Smorkalov, VA 2000, 'Microscopic stability mechanisms of a charge-ordered phase of La1.5Sr0.5NiO4', Physics of the Solid State, vol. 42, no. 8, pp. 1483-1487. https://doi.org/10.1134/1.1307057

APA

Zakharov, A., Nikiforov, A., & Smorkalov, V. A. (2000). Microscopic stability mechanisms of a charge-ordered phase of La1.5Sr0.5NiO4. Physics of the Solid State, 42(8), 1483-1487. https://doi.org/10.1134/1.1307057

Vancouver

Zakharov A, Nikiforov A, Smorkalov VA. Microscopic stability mechanisms of a charge-ordered phase of La1.5Sr0.5NiO4. Physics of the Solid State. 2000 Aug;42(8):1483-1487. doi: 10.1134/1.1307057

Author

Zakharov, A. ; Nikiforov, A. ; Smorkalov, Viktor A. / Microscopic stability mechanisms of a charge-ordered phase of La1.5Sr0.5NiO4. In: Physics of the Solid State. 2000 ; Vol. 42, No. 8. pp. 1483-1487.

BibTeX

@article{35b08b41c53645b8999a00c1ed1409f4,
title = "Microscopic stability mechanisms of a charge-ordered phase of La1.5Sr0.5NiO4",
abstract = "Using a pairwise potential approximation and a shell model, computer simulation is performed of a charge-ordered crystal phase of La1.5Sr0.5NiO4, in which Ni2+ and Ni3+ ions are arranged in staggered rows in perovskite layers. This phase is found to be stable, and, in the process of its formation, the contribution to the lowering of the total crystal energy from the charge rearrangement is smaller than that from the relaxation of the crystal structure (the structure of NiO2 layers, first of all) caused by this rearrangement. The decrease in the total energy is due to the long-range Coulomb interaction, predominantly the attraction between Ni3+ and oxygen ions in NiO2 layers.",
author = "A. Zakharov and A. Nikiforov and Smorkalov, {Viktor A.}",
year = "2000",
month = aug,
doi = "10.1134/1.1307057",
language = "English",
volume = "42",
pages = "1483--1487",
journal = "Physics of the Solid State",
issn = "1063-7834",
publisher = "American Institute of Physics Publising LLC",
number = "8",

}

RIS

TY - JOUR

T1 - Microscopic stability mechanisms of a charge-ordered phase of La1.5Sr0.5NiO4

AU - Zakharov, A.

AU - Nikiforov, A.

AU - Smorkalov, Viktor A.

PY - 2000/8

Y1 - 2000/8

N2 - Using a pairwise potential approximation and a shell model, computer simulation is performed of a charge-ordered crystal phase of La1.5Sr0.5NiO4, in which Ni2+ and Ni3+ ions are arranged in staggered rows in perovskite layers. This phase is found to be stable, and, in the process of its formation, the contribution to the lowering of the total crystal energy from the charge rearrangement is smaller than that from the relaxation of the crystal structure (the structure of NiO2 layers, first of all) caused by this rearrangement. The decrease in the total energy is due to the long-range Coulomb interaction, predominantly the attraction between Ni3+ and oxygen ions in NiO2 layers.

AB - Using a pairwise potential approximation and a shell model, computer simulation is performed of a charge-ordered crystal phase of La1.5Sr0.5NiO4, in which Ni2+ and Ni3+ ions are arranged in staggered rows in perovskite layers. This phase is found to be stable, and, in the process of its formation, the contribution to the lowering of the total crystal energy from the charge rearrangement is smaller than that from the relaxation of the crystal structure (the structure of NiO2 layers, first of all) caused by this rearrangement. The decrease in the total energy is due to the long-range Coulomb interaction, predominantly the attraction between Ni3+ and oxygen ions in NiO2 layers.

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U2 - 10.1134/1.1307057

DO - 10.1134/1.1307057

M3 - Article

VL - 42

SP - 1483

EP - 1487

JO - Physics of the Solid State

JF - Physics of the Solid State

SN - 1063-7834

IS - 8

ER -

ID: 42783096