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The Electronic Structure and the Chemical Bonding in NiO and La2NiO4 Crystals. A Comparison with CuO and La2CuO4. / Choisnet, J.; Evarestov, R. A.; Tupitsin, I. I.; Veryazov, V. A.

In: physica status solidi (b), Vol. 179, No. 2, 01.10.1993, p. 441-451.

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

Harvard

Choisnet, J, Evarestov, RA, Tupitsin, II & Veryazov, VA 1993, 'The Electronic Structure and the Chemical Bonding in NiO and La2NiO4 Crystals. A Comparison with CuO and La2CuO4', physica status solidi (b), vol. 179, no. 2, pp. 441-451. https://doi.org/10.1002/pssb.2221790219

APA

Choisnet, J., Evarestov, R. A., Tupitsin, I. I., & Veryazov, V. A. (1993). The Electronic Structure and the Chemical Bonding in NiO and La2NiO4 Crystals. A Comparison with CuO and La2CuO4. physica status solidi (b), 179(2), 441-451. https://doi.org/10.1002/pssb.2221790219

Vancouver

Choisnet J, Evarestov RA, Tupitsin II, Veryazov VA. The Electronic Structure and the Chemical Bonding in NiO and La2NiO4 Crystals. A Comparison with CuO and La2CuO4. physica status solidi (b). 1993 Oct 1;179(2):441-451. https://doi.org/10.1002/pssb.2221790219

Author

Choisnet, J. ; Evarestov, R. A. ; Tupitsin, I. I. ; Veryazov, V. A. / The Electronic Structure and the Chemical Bonding in NiO and La2NiO4 Crystals. A Comparison with CuO and La2CuO4. In: physica status solidi (b). 1993 ; Vol. 179, No. 2. pp. 441-451.

BibTeX

@article{34ae729ef75e46a7a7b7afd7feeb3cf1,
title = "The Electronic Structure and the Chemical Bonding in NiO and La2NiO4 Crystals. A Comparison with CuO and La2CuO4",
abstract = "Modelling from quantum chemical data of the chemical bonding in NiO and La2NiO4 crystals comparatively to CuO and La2CuO4, is proposed. The increase of the ionicity degree of the Ni(II)–O bonding in comparison with Cu(II)‐O bonding is observed. The covalency is low and equally distributed in the equatorial plane and apical direction in the NiO6 octahedra in La2NiO4. As a supplementary data, which is common to La2CuO4 and La2NiO4, the covalency of the apical La(III)–O bonding plays an important role in increasing the overall covalent character of the apical oxygen and triggering a further elongation of MO6 octahedra.",
author = "J. Choisnet and Evarestov, {R. A.} and Tupitsin, {I. I.} and Veryazov, {V. A.}",
year = "1993",
month = oct,
day = "1",
doi = "10.1002/pssb.2221790219",
language = "English",
volume = "179",
pages = "441--451",
journal = "Physica Status Solidi (B): Basic Research",
issn = "0370-1972",
publisher = "Wiley-Blackwell",
number = "2",

}

RIS

TY - JOUR

T1 - The Electronic Structure and the Chemical Bonding in NiO and La2NiO4 Crystals. A Comparison with CuO and La2CuO4

AU - Choisnet, J.

AU - Evarestov, R. A.

AU - Tupitsin, I. I.

AU - Veryazov, V. A.

PY - 1993/10/1

Y1 - 1993/10/1

N2 - Modelling from quantum chemical data of the chemical bonding in NiO and La2NiO4 crystals comparatively to CuO and La2CuO4, is proposed. The increase of the ionicity degree of the Ni(II)–O bonding in comparison with Cu(II)‐O bonding is observed. The covalency is low and equally distributed in the equatorial plane and apical direction in the NiO6 octahedra in La2NiO4. As a supplementary data, which is common to La2CuO4 and La2NiO4, the covalency of the apical La(III)–O bonding plays an important role in increasing the overall covalent character of the apical oxygen and triggering a further elongation of MO6 octahedra.

AB - Modelling from quantum chemical data of the chemical bonding in NiO and La2NiO4 crystals comparatively to CuO and La2CuO4, is proposed. The increase of the ionicity degree of the Ni(II)–O bonding in comparison with Cu(II)‐O bonding is observed. The covalency is low and equally distributed in the equatorial plane and apical direction in the NiO6 octahedra in La2NiO4. As a supplementary data, which is common to La2CuO4 and La2NiO4, the covalency of the apical La(III)–O bonding plays an important role in increasing the overall covalent character of the apical oxygen and triggering a further elongation of MO6 octahedra.

UR - http://www.scopus.com/inward/record.url?scp=84990668573&partnerID=8YFLogxK

U2 - 10.1002/pssb.2221790219

DO - 10.1002/pssb.2221790219

M3 - Article

AN - SCOPUS:84990668573

VL - 179

SP - 441

EP - 451

JO - Physica Status Solidi (B): Basic Research

JF - Physica Status Solidi (B): Basic Research

SN - 0370-1972

IS - 2

ER -

ID: 49961316